N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide

C20H30N4O — CID 23612883

IUPACN-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2C
InChIInChI=1S/C20H30N4O/c1-15(2)12-20(25)21-16-8-9-18-17(13-16)22-19(23(18)3)14-24-10-6-4-5-7-11-24/h8-9,13,15H,4-7,10-12,14H2,1-3H3,(H,21,25)
InChIKeyLWPQTPSOUZQDEC-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.93
Rot. Bonds5

About N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide

N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide (PubChem CID 23612883) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
PubChem CID23612883
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2C
InChIInChI=1S/C20H30N4O/c1-15(2)12-20(25)21-16-8-9-18-17(13-16)22-19(23(18)3)14-24-10-6-4-5-7-11-24/h8-9,13,15H,4-7,10-12,14H2,1-3H3,(H,21,25)
InChIKeyLWPQTPSOUZQDEC-UHFFFAOYSA-N
XLogP3.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 50745125
ethyl 4-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate
CID 24761610
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide
CID 4900397
1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 46972152
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide
CID 17235994
2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide
CID 46972380
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 46968531
(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 92589506
N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 53207693

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide?
The IUPAC name of N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide (CID 23612883) is N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide?
The canonical SMILES for N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2C.
What is the InChIKey of N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide?
The InChIKey is LWPQTPSOUZQDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-15(2)12-20(25)21-16-8-9-18-17(13-16)22-19(23(18)3)14-24-10-6-4-5-7-11-24/h8-9,13,15H,4-7,10-12,14H2,1-3H3,(H,21,25).
What are the key properties of N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide?
N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide has a molecular weight of 342.49 g/mol, XLogP of 3.93, 5 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-methylbenzimidazol-5-yl]-3-methylbutanamide is sourced from PubChem (CID 23612883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).