[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine

C14H18BrN3 — CID 113428423

IUPAC[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine
SMILESCc1cc(Br)cc2[nH]c(C3CCCC3CN)nc12
InChIInChI=1S/C14H18BrN3/c1-8-5-10(15)6-12-13(8)18-14(17-12)11-4-2-3-9(11)7-16/h5-6,9,11H,2-4,7,16H2,1H3,(H,17,18)
InChIKeyFXEJHPBXCGYNJZ-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.48
Rot. Bonds2

About [2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine

[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine (PubChem CID 113428423) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is [2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine
PubChem CID113428423
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine
SMILESCc1cc(Br)cc2[nH]c(C3CCCC3CN)nc12
InChIInChI=1S/C14H18BrN3/c1-8-5-10(15)6-12-13(8)18-14(17-12)11-4-2-3-9(11)7-16/h5-6,9,11H,2-4,7,16H2,1H3,(H,17,18)
InChIKeyFXEJHPBXCGYNJZ-UHFFFAOYSA-N
XLogP3.48
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine?
The IUPAC name of [2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine (CID 113428423) is [2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine?
The canonical SMILES for [2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine is Cc1cc(Br)cc2[nH]c(C3CCCC3CN)nc12.
What is the InChIKey of [2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine?
The InChIKey is FXEJHPBXCGYNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-8-5-10(15)6-12-13(8)18-14(17-12)11-4-2-3-9(11)7-16/h5-6,9,11H,2-4,7,16H2,1H3,(H,17,18).
What are the key properties of [2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine?
[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine has a molecular weight of 308.22 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine is sourced from PubChem (CID 113428423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).