1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine

C14H18BrN3 — CID 61290827

IUPAC1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESCn1c(C2(N)CCCCC2)nc2cc(Br)ccc21
InChIInChI=1S/C14H18BrN3/c1-18-12-6-5-10(15)9-11(12)17-13(18)14(16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,16H2,1H3
InChIKeyDYHNELYHPMNHBC-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.45
Rot. Bonds1

About 1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine

1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine (PubChem CID 61290827) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
PubChem CID61290827
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESCn1c(C2(N)CCCCC2)nc2cc(Br)ccc21
InChIInChI=1S/C14H18BrN3/c1-18-12-6-5-10(15)9-11(12)17-13(18)14(16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,16H2,1H3
InChIKeyDYHNELYHPMNHBC-UHFFFAOYSA-N
XLogP3.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine (CID 61290827) is 1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine is Cn1c(C2(N)CCCCC2)nc2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is DYHNELYHPMNHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-18-12-6-5-10(15)9-11(12)17-13(18)14(16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,16H2,1H3.
What are the key properties of 1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine?
1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 61290827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).