N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide

C22H20ClN3OS — CID 4732004

IUPACN-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCCCn1c(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)s2)nc2ccccc21
InChIInChI=1S/C22H20ClN3OS/c1-3-12-26-18-7-5-4-6-16(18)24-21(26)19-10-11-20(28-19)22(27)25-17-13-15(23)9-8-14(17)2/h4-11,13H,3,12H2,1-2H3,(H,25,27)
InChIKeyKKSCYJXDNMQHPB-UHFFFAOYSA-N
MW409.94 g/mol
LogP6.39
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide

N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide (PubChem CID 4732004) has the molecular formula C22H20ClN3OS and a molecular weight of 409.94 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
PubChem CID4732004
Molecular FormulaC22H20ClN3OS
Molecular Weight409.94 g/mol
Exact Mass409.10
IUPAC NameN-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCCCn1c(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)s2)nc2ccccc21
InChIInChI=1S/C22H20ClN3OS/c1-3-12-26-18-7-5-4-6-16(18)24-21(26)19-10-11-20(28-19)22(27)25-17-13-15(23)9-8-14(17)2/h4-11,13H,3,12H2,1-2H3,(H,25,27)
InChIKeyKKSCYJXDNMQHPB-UHFFFAOYSA-N
XLogP6.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.94
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide 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-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732047
N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732064
N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732105
5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4711380
N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731697
N'-(4-methylphenyl)sulfonyl-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732104
N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731778
N-(5-chloro-2-methylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324339
5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 4224270
5-(1-ethylbenzimidazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 4731849
N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171471
N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731876

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide (CID 4732004) is N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide is CCCn1c(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)s2)nc2ccccc21.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
The InChIKey is KKSCYJXDNMQHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3OS/c1-3-12-26-18-7-5-4-6-16(18)24-21(26)19-10-11-20(28-19)22(27)25-17-13-15(23)9-8-14(17)2/h4-11,13H,3,12H2,1-2H3,(H,25,27).
What are the key properties of N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide has a molecular weight of 409.94 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4732004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).