N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide

C21H26N4OS — CID 23612865

IUPACN-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
SMILESCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C21H26N4OS/c1-2-25-18-10-9-16(22-21(26)19-8-7-13-27-19)14-17(18)23-20(25)15-24-11-5-3-4-6-12-24/h7-10,13-14H,2-6,11-12,15H2,1H3,(H,22,26)
InChIKeyUPOXFLPGPRRSET-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.75
Rot. Bonds5

About N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide

N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide (PubChem CID 23612865) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
PubChem CID23612865
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC NameN-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
SMILESCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C21H26N4OS/c1-2-25-18-10-9-16(22-21(26)19-8-7-13-27-19)14-17(18)23-20(25)15-24-11-5-3-4-6-12-24/h7-10,13-14H,2-6,11-12,15H2,1H3,(H,22,26)
InChIKeyUPOXFLPGPRRSET-UHFFFAOYSA-N
XLogP4.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
CID 17236134
N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 46263459
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide
CID 23612860
N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 17235984
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989
3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236159
4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236238
N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
CID 29079928
2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
CID 53207528
N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-3-nitrobenzamide
CID 17236129
N-[1-butyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 53207694
N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide
CID 17236147

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide (CID 23612865) is N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide is CCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide?
The InChIKey is UPOXFLPGPRRSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-2-25-18-10-9-16(22-21(26)19-8-7-13-27-19)14-17(18)23-20(25)15-24-11-5-3-4-6-12-24/h7-10,13-14H,2-6,11-12,15H2,1H3,(H,22,26).
What are the key properties of N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide?
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 23612865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).