2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane

C174H179N37O11 — CID 165036554

IUPAC2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane
SMILESC.CC(C)c1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cn1.CCc1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cn1.CN(C)C(=O)c1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1.CN(C)c1ccc(-c2nc3ccc(C(=O)Nc4ccncc4)cc3[nH]2)cc1.CNc1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cc1.COCCNC(=O)c1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cn1.COc1cccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)c1
InChIInChI=1S/C24H25N5O.2C23H23N5O.C23H22N4O2.C22H21N5O2.C21H19N5O.C19H22N4O2.C18H20N4O.CH4/c1-15(2)20-12-8-18(14-25-20)26-24(30)17-7-11-21-22(13-17)28-23(27-21)16-5-9-19(10-6-16)29(3)4;1-24-17-7-9-18(10-8-17)25-23(29)16-6-13-20-21(14-16)27-22(26-20)15-4-11-19(12-5-15)28(2)3;1-4-17-8-9-18(14-24-17)25-23(29)16-7-12-20-21(13-16)27-22(26-20)15-5-10-19(11-6-15)28(2)3;1-27(2)18-10-7-15(8-11-18)22-25-20-12-9-16(13-21(20)26-22)23(28)24-17-5-4-6-19(14-17)29-3;1-27(2)17-8-4-14(5-9-17)21-25-18-10-6-15(12-19(18)26-21)22(28)24-16-7-11-20(29-3)23-13-16;1-26(2)17-6-3-14(4-7-17)20-24-18-8-5-15(13-19(18)25-20)21(27)23-16-9-11-22-12-10-16;1-23(2)15-7-4-13(5-8-15)18-21-16-9-6-14(12-17(16)22-18)19(24)20-10-11-25-3;1-21(2)14-8-5-12(6-9-14)17-19-15-10-7-13(11-16(15)20-17)18(23)22(3)4;/h5-15H,1-4H3,(H,26,30)(H,27,28);4-14,24H,1-3H3,(H,25,29)(H,26,27);5-14H,4H2,1-3H3,(H,25,29)(H,26,27);4-14H,1-3H3,(H,24,28)(H,25,26);4-13H,1-3H3,(H,24,28)(H,25,26);3-13H,1-2H3,(H,24,25)(H,22,23,27);4-9,12H,10-11H2,1-3H3,(H,20,24)(H,21,22);5-11H,1-4H3,(H,19,20);1H4
InChIKeyNLPIABWPHUQWGG-UHFFFAOYSA-N
MW2964.59 g/mol
LogP32.92
Rot. Bonds38

About 2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane

2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane (PubChem CID 165036554) has the molecular formula C174H179N37O11 and a molecular weight of 2964.59 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane
PubChem CID165036554
Molecular FormulaC174H179N37O11
Molecular Weight2964.59 g/mol
Exact Mass2962.46
IUPAC Name2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane
SMILESC.CC(C)c1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cn1.CCc1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cn1.CN(C)C(=O)c1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1.CN(C)c1ccc(-c2nc3ccc(C(=O)Nc4ccncc4)cc3[nH]2)cc1.CNc1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cc1.COCCNC(=O)c1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cn1.COc1cccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)c1
InChIInChI=1S/C24H25N5O.2C23H23N5O.C23H22N4O2.C22H21N5O2.C21H19N5O.C19H22N4O2.C18H20N4O.CH4/c1-15(2)20-12-8-18(14-25-20)26-24(30)17-7-11-21-22(13-17)28-23(27-21)16-5-9-19(10-6-16)29(3)4;1-24-17-7-9-18(10-8-17)25-23(29)16-6-13-20-21(14-16)27-22(26-20)15-4-11-19(12-5-15)28(2)3;1-4-17-8-9-18(14-24-17)25-23(29)16-7-12-20-21(13-16)27-22(26-20)15-5-10-19(11-6-15)28(2)3;1-27(2)18-10-7-15(8-11-18)22-25-20-12-9-16(13-21(20)26-22)23(28)24-17-5-4-6-19(14-17)29-3;1-27(2)17-8-4-14(5-9-17)21-25-18-10-6-15(12-19(18)26-21)22(28)24-16-7-11-20(29-3)23-13-16;1-26(2)17-6-3-14(4-7-17)20-24-18-8-5-15(13-19(18)25-20)21(27)23-16-9-11-22-12-10-16;1-23(2)15-7-4-13(5-8-15)18-21-16-9-6-14(12-17(16)22-18)19(24)20-10-11-25-3;1-21(2)14-8-5-12(6-9-14)17-19-15-10-7-13(11-16(15)20-17)18(23)22(3)4;/h5-15H,1-4H3,(H,26,30)(H,27,28);4-14,24H,1-3H3,(H,25,29)(H,26,27);5-14H,4H2,1-3H3,(H,25,29)(H,26,27);4-14H,1-3H3,(H,24,28)(H,25,26);4-13H,1-3H3,(H,24,28)(H,25,26);3-13H,1-2H3,(H,24,25)(H,22,23,27);4-9,12H,10-11H2,1-3H3,(H,20,24)(H,21,22);5-11H,1-4H3,(H,19,20);1H4
InChIKeyNLPIABWPHUQWGG-UHFFFAOYSA-N
XLogP32.92
TPSA570.65 Ų
H-Bond Donors16
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002964.59
LogP ≤ 532.92
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[[5-[[(3R)-4-[[5-[[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-3-[4-[4-[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]-4-oxobutyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carboxamide
CID 155532315
N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-[4-[4-[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]butanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide
CID 155560521
N-[3-[[2-[2-aminoethyl-[2-[[2-[[2-[3-imidazol-1-ylpropyl-[4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl]amino]acetyl]-methylamino]acetyl]-[4-(methylamino)butyl]amino]acetyl]amino]acetyl]-(2-amino-2-oxoethyl)amino]propyl]-4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 162666445
2-(2,6-diethylphenyl)-7-[2-[2-methoxy-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 166634509
N-[3-[(2-amino-2-oxoethyl)-[2-[[2-[[2-[2-hydroxyethyl-[2-[4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl-(pyridin-3-ylmethyl)amino]acetyl]amino]acetyl]-[4-(methylamino)butyl]amino]acetyl]-[4-(methylamino)butyl]amino]acetyl]amino]propyl]-4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 162669024
N-[3-[(2-amino-2-oxoethyl)-[2-[[2-[cyclohexyl-[2-[[2-[4-(methylamino)butyl-[4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl]amino]acetyl]-(pyridin-3-ylmethyl)amino]acetyl]amino]acetyl]-(2-hydroxyethyl)amino]acetyl]amino]propyl]-4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 162674109
(1R,4R,7R)-2-{2-[1-(cyclopropylmethyl)-6-[(pyridin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-1,3-benzodiazole-5-carbonyl}-2-azabicyclo[2.2.1]heptan-7-amine
CID 166493493
(1R,4R,7R)-2-{2-[1-(cyclopropylmethyl)-6-[(2,3-dimethylpyridin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-1,3-benzodiazole-5-carbonyl}-2-azabicyclo[2.2.1]heptan-7-amine
CID 166493519
(1R,4R,7R)-2-{2-[1-(cyclopropylmethyl)-6-[(2-methoxypyrimidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-1,3-benzodiazole-5-carbonyl}-2-azabicyclo[2.2.1]heptan-7-amine
CID 166493520
(1R,4R,7R)-2-{2-[1-(cyclopropylmethyl)-6-(2-ethoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-1,3-benzodiazole-5-carbonyl}-2-azabicyclo[2.2.1]heptan-7-amine
CID 166493531
(1R,4R,7R)-2-{2-[1-(cyclopropylmethyl)-6-{1H-pyrrolo[2,3-b]pyridin-5-yl}-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-1,3-benzodiazole-5-carbonyl}-2-azabicyclo[2.2.1]heptan-7-amine
CID 166493558
(1R,4R,7R)-2-{2-[1-(cyclopropylmethyl)-6-[(2-methylpyrimidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-1,3-benzodiazole-5-carbonyl}-2-azabicyclo[2.2.1]heptan-7-amine
CID 166493562

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane (CID 165036554) is 2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane is C.CC(C)c1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cn1.CCc1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cn1.CN(C)C(=O)c1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1.CN(C)c1ccc(-c2nc3ccc(C(=O)Nc4ccncc4)cc3[nH]2)cc1.CNc1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cc1.COCCNC(=O)c1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cn1.COc1cccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)c1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane?
The InChIKey is NLPIABWPHUQWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O.2C23H23N5O.C23H22N4O2.C22H21N5O2.C21H19N5O.C19H22N4O2.C18H20N4O.CH4/c1-15(2)20-12-8-18(14-25-20)26-24(30)17-7-11-21-22(13-17)28-23(27-21)16-5-9-19(10-6-16)29(3)4;1-24-17-7-9-18(10-8-17)25-23(29)16-6-13-20-21(14-16)27-22(26-20)15-4-11-19(12-5-15)28(2)3;1-4-17-8-9-18(14-24-17)25-23(29)16-7-12-20-21(13-16)27-22(26-20)15-5-10-19(11-6-15)28(2)3;1-27(2)18-10-7-15(8-11-18)22-25-20-12-9-16(13-21(20)26-22)23(28)24-17-5-4-6-19(14-17)29-3;1-27(2)17-8-4-14(5-9-17)21-25-18-10-6-15(12-19(18)26-21)22(28)24-16-7-11-20(29-3)23-13-16;1-26(2)17-6-3-14(4-7-17)20-24-18-8-5-15(13-19(18)25-20)21(27)23-16-9-11-22-12-10-16;1-23(2)15-7-4-13(5-8-15)18-21-16-9-6-14(12-17(16)22-18)19(24)20-10-11-25-3;1-21(2)14-8-5-12(6-9-14)17-19-15-10-7-13(11-16(15)20-17)18(23)22(3)4;/h5-15H,1-4H3,(H,26,30)(H,27,28);4-14,24H,1-3H3,(H,25,29)(H,26,27);5-14H,4H2,1-3H3,(H,25,29)(H,26,27);4-14H,1-3H3,(H,24,28)(H,25,26);4-13H,1-3H3,(H,24,28)(H,25,26);3-13H,1-2H3,(H,24,25)(H,22,23,27);4-9,12H,10-11H2,1-3H3,(H,20,24)(H,21,22);5-11H,1-4H3,(H,19,20);1H4.
What are the key properties of 2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane?
2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane has a molecular weight of 2964.59 g/mol, XLogP of 32.92, 38 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane is sourced from PubChem (CID 165036554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).