[2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine

C15H21N3 — CID 82946852

IUPAC[2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine
SMILESCc1cc(C)c2nc(C3CCCC3CN)[nH]c2c1
InChIInChI=1S/C15H21N3/c1-9-6-10(2)14-13(7-9)17-15(18-14)12-5-3-4-11(12)8-16/h6-7,11-12H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyGVNIJVFXSYKUSU-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.02
Rot. Bonds2

About [2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine

[2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine (PubChem CID 82946852) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine
PubChem CID82946852
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name[2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine
SMILESCc1cc(C)c2nc(C3CCCC3CN)[nH]c2c1
InChIInChI=1S/C15H21N3/c1-9-6-10(2)14-13(7-9)17-15(18-14)12-5-3-4-11(12)8-16/h6-7,11-12H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyGVNIJVFXSYKUSU-UHFFFAOYSA-N
XLogP3.02
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine?
The IUPAC name of [2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine (CID 82946852) is [2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine?
The canonical SMILES for [2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine is Cc1cc(C)c2nc(C3CCCC3CN)[nH]c2c1.
What is the InChIKey of [2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine?
The InChIKey is GVNIJVFXSYKUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-9-6-10(2)14-13(7-9)17-15(18-14)12-5-3-4-11(12)8-16/h6-7,11-12H,3-5,8,16H2,1-2H3,(H,17,18).
What are the key properties of [2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine?
[2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine is sourced from PubChem (CID 82946852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).