1-[(2-bromophenyl)methyl]benzimidazol-5-amine

C14H12BrN3 — CID 62508387

IUPAC1-[(2-bromophenyl)methyl]benzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2Cc1ccccc1Br
InChIInChI=1S/C14H12BrN3/c15-12-4-2-1-3-10(12)8-18-9-17-13-7-11(16)5-6-14(13)18/h1-7,9H,8,16H2
InChIKeyUOSZPWPYEJGQIU-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.43
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]benzimidazol-5-amine

1-[(2-bromophenyl)methyl]benzimidazol-5-amine (PubChem CID 62508387) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]benzimidazol-5-amine
PubChem CID62508387
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name1-[(2-bromophenyl)methyl]benzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2Cc1ccccc1Br
InChIInChI=1S/C14H12BrN3/c15-12-4-2-1-3-10(12)8-18-9-17-13-7-11(16)5-6-14(13)18/h1-7,9H,8,16H2
InChIKeyUOSZPWPYEJGQIU-UHFFFAOYSA-N
XLogP3.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.43
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)methyl]benzimidazol-5-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]benzimidazol-5-amine (CID 62508387) is 1-[(2-bromophenyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]benzimidazol-5-amine is Nc1ccc2c(c1)ncn2Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]benzimidazol-5-amine?
The InChIKey is UOSZPWPYEJGQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c15-12-4-2-1-3-10(12)8-18-9-17-13-7-11(16)5-6-14(13)18/h1-7,9H,8,16H2.
What are the key properties of 1-[(2-bromophenyl)methyl]benzimidazol-5-amine?
1-[(2-bromophenyl)methyl]benzimidazol-5-amine has a molecular weight of 302.18 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 62508387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).