N-butyl-3-iodo-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide

C138H152IN15O5S2 — CID 159106938

IUPACN-butyl-3-iodo-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccc(CCCCCCCC)cc1.CCCCCCCCc1ccc(C(=O)N(CCCC)Cc2nc3ccccc3n2-c2ccccc2)cc1.CCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccc(C)s1.CCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1cccc(I)c1.CCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1sccc1C
InChIInChI=1S/C33H41N3O.C32H37N3O.C25H24IN3O.2C24H25N3OS/c1-3-5-7-8-9-11-16-27-21-23-28(24-22-27)33(37)35(25-6-4-2)26-32-34-30-19-14-15-20-31(30)36(32)29-17-12-10-13-18-29;1-3-5-6-7-8-10-15-26-20-22-27(23-21-26)32(36)34(24-4-2)25-31-33-29-18-13-14-19-30(29)35(31)28-16-11-9-12-17-28;1-2-3-16-28(25(30)19-10-9-11-20(26)17-19)18-24-27-22-14-7-8-15-23(22)29(24)21-12-5-4-6-13-21;1-3-4-16-26(24(28)22-15-14-18(2)29-22)17-23-25-20-12-8-9-13-21(20)27(23)19-10-6-5-7-11-19;1-3-4-15-26(24(28)23-18(2)14-16-29-23)17-22-25-20-12-8-9-13-21(20)27(22)19-10-6-5-7-11-19/h10,12-15,17-24H,3-9,11,16,25-26H2,1-2H3;4,9,11-14,16-23H,2-3,5-8,10,15,24-25H2,1H3;4-15,17H,2-3,16,18H2,1H3;5-15H,3-4,16-17H2,1-2H3;5-14,16H,3-4,15,17H2,1-2H3
InChIKeyKDZRXOMUVLCNQB-UHFFFAOYSA-N
MW2291.87 g/mol
LogP33.88
Rot. Bonds48

About N-butyl-3-iodo-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide

N-butyl-3-iodo-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide (PubChem CID 159106938) has the molecular formula C138H152IN15O5S2 and a molecular weight of 2291.87 g/mol. Its IUPAC name is N-butyl-3-iodo-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-butyl-3-iodo-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide
PubChem CID159106938
Molecular FormulaC138H152IN15O5S2
Molecular Weight2291.87 g/mol
Exact Mass2290.06
IUPAC NameN-butyl-3-iodo-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccc(CCCCCCCC)cc1.CCCCCCCCc1ccc(C(=O)N(CCCC)Cc2nc3ccccc3n2-c2ccccc2)cc1.CCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccc(C)s1.CCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1cccc(I)c1.CCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1sccc1C
InChIInChI=1S/C33H41N3O.C32H37N3O.C25H24IN3O.2C24H25N3OS/c1-3-5-7-8-9-11-16-27-21-23-28(24-22-27)33(37)35(25-6-4-2)26-32-34-30-19-14-15-20-31(30)36(32)29-17-12-10-13-18-29;1-3-5-6-7-8-10-15-26-20-22-27(23-21-26)32(36)34(24-4-2)25-31-33-29-18-13-14-19-30(29)35(31)28-16-11-9-12-17-28;1-2-3-16-28(25(30)19-10-9-11-20(26)17-19)18-24-27-22-14-7-8-15-23(22)29(24)21-12-5-4-6-13-21;1-3-4-16-26(24(28)22-15-14-18(2)29-22)17-23-25-20-12-8-9-13-21(20)27(23)19-10-6-5-7-11-19;1-3-4-15-26(24(28)23-18(2)14-16-29-23)17-22-25-20-12-8-9-13-21(20)27(22)19-10-6-5-7-11-19/h10,12-15,17-24H,3-9,11,16,25-26H2,1-2H3;4,9,11-14,16-23H,2-3,5-8,10,15,24-25H2,1H3;4-15,17H,2-3,16,18H2,1H3;5-15H,3-4,16-17H2,1-2H3;5-14,16H,3-4,15,17H2,1-2H3
InChIKeyKDZRXOMUVLCNQB-UHFFFAOYSA-N
XLogP33.88
TPSA190.65 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds48
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002291.87
LogP ≤ 533.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-[5-[3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]methanone
CID 127049090
N-[2-amino-4-(trifluoromethyl)phenyl]-3-ethylsulfanyl-N-methyl-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide;2-[3-ethylsulfanyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]-1-methyl-5-(trifluoromethyl)benzimidazole
CID 158589345
2-[2-(1-Methylbenzimidazol-2-yl)propan-2-yl]-1,2-benzothiazol-3-one
CID 139194097
[(2S)-2-[6-[2-[2-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 44814925
1-[[4-[3-[Benzoyl(sulfinato)amino]thiophen-2-yl]phenyl]methyl]-2-propylbenzimidazole
CID 53794760
1-[[4-[2-[Benzoyl(sulfinato)amino]thiophen-3-yl]phenyl]methyl]-2-butylbenzimidazole
CID 53807320
1-[[4-[3-[Benzoyl(sulfinato)amino]thiophen-2-yl]phenyl]methyl]-2-butylbenzimidazole
CID 54071350
1-[[4-[2-[Benzoyl(sulfinato)amino]thiophen-3-yl]phenyl]methyl]-2-propylbenzimidazole
CID 54367406
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone
CID 68784030
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone;[4-(5,6-difluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone
CID 87403409
bis([4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone);[(2S)-2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-[4-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]phenyl]methanone
CID 87494192
5-[4-Hexyl-5-[4-hexyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]thiophen-2-yl]thiophen-2-yl]thieno[3,2-b]thiophene-2-carbaldehyde
CID 129043123

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-iodo-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide?
The IUPAC name of N-butyl-3-iodo-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide (CID 159106938) is N-butyl-3-iodo-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for N-butyl-3-iodo-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide?
The canonical SMILES for N-butyl-3-iodo-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide is C=CCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccc(CCCCCCCC)cc1.CCCCCCCCc1ccc(C(=O)N(CCCC)Cc2nc3ccccc3n2-c2ccccc2)cc1.CCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccc(C)s1.CCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1cccc(I)c1.CCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1sccc1C.
What is the InChIKey of N-butyl-3-iodo-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide?
The InChIKey is KDZRXOMUVLCNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O.C32H37N3O.C25H24IN3O.2C24H25N3OS/c1-3-5-7-8-9-11-16-27-21-23-28(24-22-27)33(37)35(25-6-4-2)26-32-34-30-19-14-15-20-31(30)36(32)29-17-12-10-13-18-29;1-3-5-6-7-8-10-15-26-20-22-27(23-21-26)32(36)34(24-4-2)25-31-33-29-18-13-14-19-30(29)35(31)28-16-11-9-12-17-28;1-2-3-16-28(25(30)19-10-9-11-20(26)17-19)18-24-27-22-14-7-8-15-23(22)29(24)21-12-5-4-6-13-21;1-3-4-16-26(24(28)22-15-14-18(2)29-22)17-23-25-20-12-8-9-13-21(20)27(23)19-10-6-5-7-11-19;1-3-4-15-26(24(28)23-18(2)14-16-29-23)17-22-25-20-12-8-9-13-21(20)27(22)19-10-6-5-7-11-19/h10,12-15,17-24H,3-9,11,16,25-26H2,1-2H3;4,9,11-14,16-23H,2-3,5-8,10,15,24-25H2,1H3;4-15,17H,2-3,16,18H2,1H3;5-15H,3-4,16-17H2,1-2H3;5-14,16H,3-4,15,17H2,1-2H3.
What are the key properties of N-butyl-3-iodo-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide?
N-butyl-3-iodo-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide has a molecular weight of 2291.87 g/mol, XLogP of 33.88, 48 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-iodo-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide;N-butyl-4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-octyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 159106938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).