6-bromo-1-(2-phenylethyl)benzimidazol-2-amine

C15H14BrN3 — CID 65346773

IUPAC6-bromo-1-(2-phenylethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1CCc1ccccc1
InChIInChI=1S/C15H14BrN3/c16-12-6-7-13-14(10-12)19(15(17)18-13)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,17,18)
InChIKeyKZKZOZQUYATBJC-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.62
Rot. Bonds3

About 6-bromo-1-(2-phenylethyl)benzimidazol-2-amine

6-bromo-1-(2-phenylethyl)benzimidazol-2-amine (PubChem CID 65346773) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 6-bromo-1-(2-phenylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(2-phenylethyl)benzimidazol-2-amine
PubChem CID65346773
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name6-bromo-1-(2-phenylethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1CCc1ccccc1
InChIInChI=1S/C15H14BrN3/c16-12-6-7-13-14(10-12)19(15(17)18-13)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,17,18)
InChIKeyKZKZOZQUYATBJC-UHFFFAOYSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2-phenylethyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(2-phenylethyl)benzimidazol-2-amine (CID 65346773) is 6-bromo-1-(2-phenylethyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(2-phenylethyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(2-phenylethyl)benzimidazol-2-amine is Nc1nc2ccc(Br)cc2n1CCc1ccccc1.
What is the InChIKey of 6-bromo-1-(2-phenylethyl)benzimidazol-2-amine?
The InChIKey is KZKZOZQUYATBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c16-12-6-7-13-14(10-12)19(15(17)18-13)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,17,18).
What are the key properties of 6-bromo-1-(2-phenylethyl)benzimidazol-2-amine?
6-bromo-1-(2-phenylethyl)benzimidazol-2-amine has a molecular weight of 316.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2-phenylethyl)benzimidazol-2-amine is sourced from PubChem (CID 65346773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).