2-(azepan-1-yl)-6-methyl-1H-benzimidazole

C14H19N3 — CID 110376234

IUPAC2-(azepan-1-yl)-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(N3CCCCCC3)[nH]c2c1
InChIInChI=1S/C14H19N3/c1-11-6-7-12-13(10-11)16-14(15-12)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyFUOUUHNYJZLDDO-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.25
Rot. Bonds1

About 2-(azepan-1-yl)-6-methyl-1H-benzimidazole

2-(azepan-1-yl)-6-methyl-1H-benzimidazole (PubChem CID 110376234) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(azepan-1-yl)-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(azepan-1-yl)-6-methyl-1H-benzimidazole
PubChem CID110376234
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(azepan-1-yl)-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(N3CCCCCC3)[nH]c2c1
InChIInChI=1S/C14H19N3/c1-11-6-7-12-13(10-11)16-14(15-12)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyFUOUUHNYJZLDDO-UHFFFAOYSA-N
XLogP3.25
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,4-diazepan-1-yl)-6-methyl-1H-benzimidazole
CID 71022581
1-(6-methyl-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 3556705
6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole
CID 142734957
2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid
CID 82563117
[1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46358885
6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride
CID 11661246
(2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride
CID 176987845
6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole
CID 168514664
N'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
CID 140778587
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92876841
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide
CID 92876925
(3R)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 92876876

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-6-methyl-1H-benzimidazole?
The IUPAC name of 2-(azepan-1-yl)-6-methyl-1H-benzimidazole (CID 110376234) is 2-(azepan-1-yl)-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(azepan-1-yl)-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-(azepan-1-yl)-6-methyl-1H-benzimidazole is Cc1ccc2nc(N3CCCCCC3)[nH]c2c1.
What is the InChIKey of 2-(azepan-1-yl)-6-methyl-1H-benzimidazole?
The InChIKey is FUOUUHNYJZLDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-6-7-12-13(10-11)16-14(15-12)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,15,16).
What are the key properties of 2-(azepan-1-yl)-6-methyl-1H-benzimidazole?
2-(azepan-1-yl)-6-methyl-1H-benzimidazole has a molecular weight of 229.33 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-6-methyl-1H-benzimidazole is sourced from PubChem (CID 110376234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).