heptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide

C218H217N21O23 — CID 161029350

IUPACheptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide
SMILESCC(C)CC(C)NC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.CC(C)CCC(C)NC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.CCOCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.COCCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.Cc1nc2cc(C(=O)NC3(c4cccc(C(C)C)c4)CCCC3)ccc2n1Cc1ccc(-c2ccccc2)cc1.Cc1nc2ccc(C(=O)NC3(c4cccc(C(C)C)c4)CC3)cc2n1Cc1ccc(-c2ccccc2)cc1.Cc1nc2ccc(C(=O)NC3(c4cccc(C(C)C)c4)CCCC3)cc2n1Cc1ccc(-c2ccccc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C36H37N3O.C34H33N3O.C28H31N3O.C27H29N3O.2C25H25N3O2.7CO2/c1-25(2)30-12-9-13-32(22-30)36(20-7-8-21-36)38-35(40)31-18-19-34-33(23-31)37-26(3)39(34)24-27-14-16-29(17-15-27)28-10-5-4-6-11-28;1-25(2)30-12-9-13-32(22-30)36(20-7-8-21-36)38-35(40)31-18-19-33-34(23-31)39(26(3)37-33)24-27-14-16-29(17-15-27)28-10-5-4-6-11-28;1-23(2)28-10-7-11-30(20-28)34(18-19-34)36-33(38)29-16-17-31-32(21-29)37(24(3)35-31)22-25-12-14-27(15-13-25)26-8-5-4-6-9-26;1-20(2)9-10-21(3)30-28(32)25-15-16-27-26(17-25)29-19-31(27)18-22-11-13-24(14-12-22)23-7-5-4-6-8-23;1-19(2)15-20(3)29-27(31)24-13-14-26-25(16-24)28-18-30(26)17-21-9-11-23(12-10-21)22-7-5-4-6-8-22;1-30-15-5-14-26-25(29)22-12-13-24-23(16-22)27-18-28(24)17-19-8-10-21(11-9-19)20-6-3-2-4-7-20;1-2-30-15-14-26-25(29)22-12-13-24-23(16-22)27-18-28(24)17-19-8-10-21(11-9-19)20-6-4-3-5-7-20;7*2-1-3/h2*4-6,9-19,22-23,25H,7-8,20-21,24H2,1-3H3,(H,38,40);4-17,20-21,23H,18-19,22H2,1-3H3,(H,36,38);4-8,11-17,19-21H,9-10,18H2,1-3H3,(H,30,32);4-14,16,18-20H,15,17H2,1-3H3,(H,29,31);2-4,6-13,16,18H,5,14-15,17H2,1H3,(H,26,29);3-13,16,18H,2,14-15,17H2,1H3,(H,26,29);;;;;;;
InChIKeyTZJYNGUPISMUIC-UHFFFAOYSA-N
MW3499.26 g/mol
LogP41.54
Rot. Bonds52

About heptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide

heptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide (PubChem CID 161029350) has the molecular formula C218H217N21O23 and a molecular weight of 3499.26 g/mol. Its IUPAC name is heptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Nameheptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide
PubChem CID161029350
Molecular FormulaC218H217N21O23
Molecular Weight3499.26 g/mol
Exact Mass3496.65
IUPAC Nameheptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide
SMILESCC(C)CC(C)NC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.CC(C)CCC(C)NC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.CCOCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.COCCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.Cc1nc2cc(C(=O)NC3(c4cccc(C(C)C)c4)CCCC3)ccc2n1Cc1ccc(-c2ccccc2)cc1.Cc1nc2ccc(C(=O)NC3(c4cccc(C(C)C)c4)CC3)cc2n1Cc1ccc(-c2ccccc2)cc1.Cc1nc2ccc(C(=O)NC3(c4cccc(C(C)C)c4)CCCC3)cc2n1Cc1ccc(-c2ccccc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C36H37N3O.C34H33N3O.C28H31N3O.C27H29N3O.2C25H25N3O2.7CO2/c1-25(2)30-12-9-13-32(22-30)36(20-7-8-21-36)38-35(40)31-18-19-34-33(23-31)37-26(3)39(34)24-27-14-16-29(17-15-27)28-10-5-4-6-11-28;1-25(2)30-12-9-13-32(22-30)36(20-7-8-21-36)38-35(40)31-18-19-33-34(23-31)39(26(3)37-33)24-27-14-16-29(17-15-27)28-10-5-4-6-11-28;1-23(2)28-10-7-11-30(20-28)34(18-19-34)36-33(38)29-16-17-31-32(21-29)37(24(3)35-31)22-25-12-14-27(15-13-25)26-8-5-4-6-9-26;1-20(2)9-10-21(3)30-28(32)25-15-16-27-26(17-25)29-19-31(27)18-22-11-13-24(14-12-22)23-7-5-4-6-8-23;1-19(2)15-20(3)29-27(31)24-13-14-26-25(16-24)28-18-30(26)17-21-9-11-23(12-10-21)22-7-5-4-6-8-22;1-30-15-5-14-26-25(29)22-12-13-24-23(16-22)27-18-28(24)17-19-8-10-21(11-9-19)20-6-3-2-4-7-20;1-2-30-15-14-26-25(29)22-12-13-24-23(16-22)27-18-28(24)17-19-8-10-21(11-9-19)20-6-4-3-5-7-20;7*2-1-3/h2*4-6,9-19,22-23,25H,7-8,20-21,24H2,1-3H3,(H,38,40);4-17,20-21,23H,18-19,22H2,1-3H3,(H,36,38);4-8,11-17,19-21H,9-10,18H2,1-3H3,(H,30,32);4-14,16,18-20H,15,17H2,1-3H3,(H,29,31);2-4,6-13,16,18H,5,14-15,17H2,1H3,(H,26,29);3-13,16,18H,2,14-15,17H2,1H3,(H,26,29);;;;;;;
InChIKeyTZJYNGUPISMUIC-UHFFFAOYSA-N
XLogP41.54
TPSA585.88 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds52
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003499.26
LogP ≤ 541.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze heptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide with MolForge

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Related Compounds

1-(Cyclopropylmethyl)-2-(9-ethyl-9H-carbazol-3-yl)-N-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole-5-carboxamide
CID 76283439
2-(9-Ethyl-9H-carbazol-3-yl)-1-(2-methoxyethyl)-N-[2-(pyrrolidin-1-yl)ethyl]-1H-benzimidazole-5-carboxamide
CID 76283695
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 158183847
CID 159117376
CID 159117376
tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide
CID 159216649
bis(tert-butyl (6S)-6-[7-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]-1,4-oxazepane-4-carboxylate);tert-butyl 6-[7-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]-1,4-oxazepane-4-carboxylate;methane;bis(N-[7-methyl-1-[(6S)-1,4-oxazepan-6-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide)
CID 159540735
N-[1-butyl-5-(1,2-dimethyl-5-oxopyrrolidin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;bis(N-[5-(1,2-dimethyl-5-oxopyrrolidin-2-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide)
CID 160491384
heptakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-3-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide
CID 161642419
(r)-2-[4-[n-(4-Methyl-phenylcarbonyl)-amidino]-phenylaminomethyl]-1-methyl-5-[1-(ethoxycarbonylmethylamino)-1-(pyrrolidinocarbonyl)-ethyl]-benzimidazole
CID 15521642
methyl N-[4-[(2S)-2-[6-[4-[2-[(2S)-1-[4-(methoxycarbonylamino)cyclohexanecarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]cyclohexyl]carbamate
CID 53378414
methyl N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[2-(3H-benzimidazole-5-carbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxalin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 57470431
methoxy N-[4-[(2S)-2-[6-[4-[2-[(2S)-1-[4-(methoxycarbonylamino)cyclohexanecarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]cyclohexyl]methanimidate
CID 59539150

Frequently Asked Questions

What is the IUPAC name of heptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide?
The IUPAC name of heptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide (CID 161029350) is heptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide.
What is the SMILES notation for heptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide?
The canonical SMILES for heptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide is CC(C)CC(C)NC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.CC(C)CCC(C)NC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.CCOCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.COCCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.Cc1nc2cc(C(=O)NC3(c4cccc(C(C)C)c4)CCCC3)ccc2n1Cc1ccc(-c2ccccc2)cc1.Cc1nc2ccc(C(=O)NC3(c4cccc(C(C)C)c4)CC3)cc2n1Cc1ccc(-c2ccccc2)cc1.Cc1nc2ccc(C(=O)NC3(c4cccc(C(C)C)c4)CCCC3)cc2n1Cc1ccc(-c2ccccc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of heptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide?
The InChIKey is TZJYNGUPISMUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H37N3O.C34H33N3O.C28H31N3O.C27H29N3O.2C25H25N3O2.7CO2/c1-25(2)30-12-9-13-32(22-30)36(20-7-8-21-36)38-35(40)31-18-19-34-33(23-31)37-26(3)39(34)24-27-14-16-29(17-15-27)28-10-5-4-6-11-28;1-25(2)30-12-9-13-32(22-30)36(20-7-8-21-36)38-35(40)31-18-19-33-34(23-31)39(26(3)37-33)24-27-14-16-29(17-15-27)28-10-5-4-6-11-28;1-23(2)28-10-7-11-30(20-28)34(18-19-34)36-33(38)29-16-17-31-32(21-29)37(24(3)35-31)22-25-12-14-27(15-13-25)26-8-5-4-6-9-26;1-20(2)9-10-21(3)30-28(32)25-15-16-27-26(17-25)29-19-31(27)18-22-11-13-24(14-12-22)23-7-5-4-6-8-23;1-19(2)15-20(3)29-27(31)24-13-14-26-25(16-24)28-18-30(26)17-21-9-11-23(12-10-21)22-7-5-4-6-8-22;1-30-15-5-14-26-25(29)22-12-13-24-23(16-22)27-18-28(24)17-19-8-10-21(11-9-19)20-6-3-2-4-7-20;1-2-30-15-14-26-25(29)22-12-13-24-23(16-22)27-18-28(24)17-19-8-10-21(11-9-19)20-6-4-3-5-7-20;7*2-1-3/h2*4-6,9-19,22-23,25H,7-8,20-21,24H2,1-3H3,(H,38,40);4-17,20-21,23H,18-19,22H2,1-3H3,(H,36,38);4-8,11-17,19-21H,9-10,18H2,1-3H3,(H,30,32);4-14,16,18-20H,15,17H2,1-3H3,(H,29,31);2-4,6-13,16,18H,5,14-15,17H2,1H3,(H,26,29);3-13,16,18H,2,14-15,17H2,1H3,(H,26,29);;;;;;;.
What are the key properties of heptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide?
heptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide has a molecular weight of 3499.26 g/mol, XLogP of 41.54, 52 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for heptakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide;2-methyl-3-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 161029350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).