6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine

C15H20BrN3 — CID 65347463

IUPAC6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine
SMILESCCC1CCC(n2c(N)nc3ccc(Br)cc32)CC1
InChIInChI=1S/C15H20BrN3/c1-2-10-3-6-12(7-4-10)19-14-9-11(16)5-8-13(14)18-15(19)17/h5,8-10,12H,2-4,6-7H2,1H3,(H2,17,18)
InChIKeyWFEDUKFOAYOSIC-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.52
Rot. Bonds2

About 6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine

6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine (PubChem CID 65347463) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine
PubChem CID65347463
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine
SMILESCCC1CCC(n2c(N)nc3ccc(Br)cc32)CC1
InChIInChI=1S/C15H20BrN3/c1-2-10-3-6-12(7-4-10)19-14-9-11(16)5-8-13(14)18-15(19)17/h5,8-10,12H,2-4,6-7H2,1H3,(H2,17,18)
InChIKeyWFEDUKFOAYOSIC-UHFFFAOYSA-N
XLogP4.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine (CID 65347463) is 6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine is CCC1CCC(n2c(N)nc3ccc(Br)cc32)CC1.
What is the InChIKey of 6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine?
The InChIKey is WFEDUKFOAYOSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-2-10-3-6-12(7-4-10)19-14-9-11(16)5-8-13(14)18-15(19)17/h5,8-10,12H,2-4,6-7H2,1H3,(H2,17,18).
What are the key properties of 6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine?
6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine has a molecular weight of 322.25 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine is sourced from PubChem (CID 65347463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).