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

C21H32N4O — CID 23612860

IUPACN-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2CC
InChIInChI=1S/C21H32N4O/c1-3-5-10-21(26)22-17-11-12-19-18(15-17)23-20(25(19)4-2)16-24-13-8-6-7-9-14-24/h11-12,15H,3-10,13-14,16H2,1-2H3,(H,22,26)
InChIKeyBNKFMONWRFMHIW-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.56
Rot. Bonds7

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

N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide (PubChem CID 23612860) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide
PubChem CID23612860
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC NameN-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2CC
InChIInChI=1S/C21H32N4O/c1-3-5-10-21(26)22-17-11-12-19-18(15-17)23-20(25(19)4-2)16-24-13-8-6-7-9-14-24/h11-12,15H,3-10,13-14,16H2,1-2H3,(H,22,26)
InChIKeyBNKFMONWRFMHIW-UHFFFAOYSA-N
XLogP4.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide
CID 17236147
N-[1-butyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 53207694
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 23612865
N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 53207693
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989
2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
CID 53207528
N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide
CID 50745132
N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 53207619
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide
CID 17235994
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 46263440
2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide
CID 53207549

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide?
The IUPAC name of N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide (CID 23612860) is N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide.
What is the SMILES notation for N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide?
The canonical SMILES for N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide is CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2CC.
What is the InChIKey of N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide?
The InChIKey is BNKFMONWRFMHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-3-5-10-21(26)22-17-11-12-19-18(15-17)23-20(25(19)4-2)16-24-13-8-6-7-9-14-24/h11-12,15H,3-10,13-14,16H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide?
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide has a molecular weight of 356.51 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide is sourced from PubChem (CID 23612860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).