N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide

C24H25N3OS — CID 18734660

IUPACN-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
SMILESCC(C)CCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccsc1
InChIInChI=1S/C24H25N3OS/c1-18(2)12-14-26(24(28)19-13-15-29-17-19)16-23-25-21-10-6-7-11-22(21)27(23)20-8-4-3-5-9-20/h3-11,13,15,17-18H,12,14,16H2,1-2H3
InChIKeyKUJXWTSCRUDKAQ-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.78
Rot. Bonds7

About N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide

N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide (PubChem CID 18734660) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
PubChem CID18734660
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC NameN-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
SMILESCC(C)CCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccsc1
InChIInChI=1S/C24H25N3OS/c1-18(2)12-14-26(24(28)19-13-15-29-17-19)16-23-25-21-10-6-7-11-22(21)27(23)20-8-4-3-5-9-20/h3-11,13,15,17-18H,12,14,16H2,1-2H3
InChIKeyKUJXWTSCRUDKAQ-UHFFFAOYSA-N
XLogP5.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18733019
2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 70013857
5-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide
CID 18733185
2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 70015882
2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18732504
N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide
CID 18733407
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-3-carboxamide
CID 18734022
N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734629
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid
CID 119913764
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide
CID 158613202

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide (CID 18734660) is N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide is CC(C)CCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccsc1.
What is the InChIKey of N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide?
The InChIKey is KUJXWTSCRUDKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c1-18(2)12-14-26(24(28)19-13-15-29-17-19)16-23-25-21-10-6-7-11-22(21)27(23)20-8-4-3-5-9-20/h3-11,13,15,17-18H,12,14,16H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide?
N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide has a molecular weight of 403.55 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 18734660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).