1-(2-bromophenyl)-2-methylbenzimidazol-5-amine

C14H12BrN3 — CID 62507674

IUPAC1-(2-bromophenyl)-2-methylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1-c1ccccc1Br
InChIInChI=1S/C14H12BrN3/c1-9-17-12-8-10(16)6-7-14(12)18(9)13-5-3-2-4-11(13)15/h2-8H,16H2,1H3
InChIKeyJCRKEICUEFFFHU-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.68
Rot. Bonds1

About 1-(2-bromophenyl)-2-methylbenzimidazol-5-amine

1-(2-bromophenyl)-2-methylbenzimidazol-5-amine (PubChem CID 62507674) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-methylbenzimidazol-5-amine
PubChem CID62507674
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name1-(2-bromophenyl)-2-methylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1-c1ccccc1Br
InChIInChI=1S/C14H12BrN3/c1-9-17-12-8-10(16)6-7-14(12)18(9)13-5-3-2-4-11(13)15/h2-8H,16H2,1H3
InChIKeyJCRKEICUEFFFHU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-methylbenzimidazol-5-amine?
The IUPAC name of 1-(2-bromophenyl)-2-methylbenzimidazol-5-amine (CID 62507674) is 1-(2-bromophenyl)-2-methylbenzimidazol-5-amine.
What is the SMILES notation for 1-(2-bromophenyl)-2-methylbenzimidazol-5-amine?
The canonical SMILES for 1-(2-bromophenyl)-2-methylbenzimidazol-5-amine is Cc1nc2cc(N)ccc2n1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-methylbenzimidazol-5-amine?
The InChIKey is JCRKEICUEFFFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-9-17-12-8-10(16)6-7-14(12)18(9)13-5-3-2-4-11(13)15/h2-8H,16H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-methylbenzimidazol-5-amine?
1-(2-bromophenyl)-2-methylbenzimidazol-5-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 1-(2-bromophenyl)-2-methylbenzimidazol-5-amine is sourced from PubChem (CID 62507674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).