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

C14H12BrN3 — CID 65347163

IUPAC6-bromo-1-(4-methylphenyl)benzimidazol-2-amine
SMILESCc1ccc(-n2c(N)nc3ccc(Br)cc32)cc1
InChIInChI=1S/C14H12BrN3/c1-9-2-5-11(6-3-9)18-13-8-10(15)4-7-12(13)17-14(18)16/h2-8H,1H3,(H2,16,17)
InChIKeyDSAPQHBTJGHRPV-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.68
Rot. Bonds1

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

6-bromo-1-(4-methylphenyl)benzimidazol-2-amine (PubChem CID 65347163) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 6-bromo-1-(4-methylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(4-methylphenyl)benzimidazol-2-amine
PubChem CID65347163
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name6-bromo-1-(4-methylphenyl)benzimidazol-2-amine
SMILESCc1ccc(-n2c(N)nc3ccc(Br)cc32)cc1
InChIInChI=1S/C14H12BrN3/c1-9-2-5-11(6-3-9)18-13-8-10(15)4-7-12(13)17-14(18)16/h2-8H,1H3,(H2,16,17)
InChIKeyDSAPQHBTJGHRPV-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.68
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-methylphenyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(4-methylphenyl)benzimidazol-2-amine (CID 65347163) is 6-bromo-1-(4-methylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(4-methylphenyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(4-methylphenyl)benzimidazol-2-amine is Cc1ccc(-n2c(N)nc3ccc(Br)cc32)cc1.
What is the InChIKey of 6-bromo-1-(4-methylphenyl)benzimidazol-2-amine?
The InChIKey is DSAPQHBTJGHRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-9-2-5-11(6-3-9)18-13-8-10(15)4-7-12(13)17-14(18)16/h2-8H,1H3,(H2,16,17).
What are the key properties of 6-bromo-1-(4-methylphenyl)benzimidazol-2-amine?
6-bromo-1-(4-methylphenyl)benzimidazol-2-amine has a molecular weight of 302.18 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-methylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 65347163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).