N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide

C21H19N3OS — CID 4731697

IUPACN-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(-c3nc4ccccc4n3C)s2)c1
InChIInChI=1S/C21H19N3OS/c1-13-10-14(2)12-15(11-13)22-21(25)19-9-8-18(26-19)20-23-16-6-4-5-7-17(16)24(20)3/h4-12H,1-3H3,(H,22,25)
InChIKeyZEAOSZOVMSJWFW-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.17
Rot. Bonds3

About N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide

N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide (PubChem CID 4731697) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
PubChem CID4731697
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC NameN-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(-c3nc4ccccc4n3C)s2)c1
InChIInChI=1S/C21H19N3OS/c1-13-10-14(2)12-15(11-13)22-21(25)19-9-8-18(26-19)20-23-16-6-4-5-7-17(16)24(20)3/h4-12H,1-3H3,(H,22,25)
InChIKeyZEAOSZOVMSJWFW-UHFFFAOYSA-N
XLogP5.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731778
5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide
CID 4731737
1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone
CID 13177411
N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732064
5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide
CID 4731758
5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 4731815
5-(1-ethylbenzimidazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 4731849
N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732004
5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4711380
5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 4224270
N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732047
[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 4731716

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide (CID 4731697) is N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc(-c3nc4ccccc4n3C)s2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide?
The InChIKey is ZEAOSZOVMSJWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-13-10-14(2)12-15(11-13)22-21(25)19-9-8-18(26-19)20-23-16-6-4-5-7-17(16)24(20)3/h4-12H,1-3H3,(H,22,25).
What are the key properties of N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide?
N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4731697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).