[1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine

C16H23N3O — CID 115443684

IUPAC[1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine
SMILESCOc1ccc2nc(C3(CN)CCCCCC3)[nH]c2c1
InChIInChI=1S/C16H23N3O/c1-20-12-6-7-13-14(10-12)19-15(18-13)16(11-17)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11,17H2,1H3,(H,18,19)
InChIKeySIPYHJGJVVOWGN-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.12
Rot. Bonds3

About [1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine

[1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine (PubChem CID 115443684) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine
PubChem CID115443684
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine
SMILESCOc1ccc2nc(C3(CN)CCCCCC3)[nH]c2c1
InChIInChI=1S/C16H23N3O/c1-20-12-6-7-13-14(10-12)19-15(18-13)16(11-17)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11,17H2,1H3,(H,18,19)
InChIKeySIPYHJGJVVOWGN-UHFFFAOYSA-N
XLogP3.12
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(6-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445730
[1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445764
2-(6-methoxy-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82763151
4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline
CID 115913040
3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine
CID 65017552
[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine
CID 82622742
[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine
CID 82946428
2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol
CID 81432326
[1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexyl]methanamine
CID 115436274
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
[1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
CID 117431672
[1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine
CID 113310412

Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine?
The IUPAC name of [1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine (CID 115443684) is [1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine.
What is the SMILES notation for [1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine?
The canonical SMILES for [1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine is COc1ccc2nc(C3(CN)CCCCCC3)[nH]c2c1.
What is the InChIKey of [1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine?
The InChIKey is SIPYHJGJVVOWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-20-12-6-7-13-14(10-12)19-15(18-13)16(11-17)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11,17H2,1H3,(H,18,19).
What are the key properties of [1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine?
[1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine is sourced from PubChem (CID 115443684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).