[2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine

C16H16BrN3O — CID 65040239

IUPAC[2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine
SMILESCOc1ccc(-c2nc3cc(CN)ccc3n2C)cc1Br
InChIInChI=1S/C16H16BrN3O/c1-20-14-5-3-10(9-18)7-13(14)19-16(20)11-4-6-15(21-2)12(17)8-11/h3-8H,9,18H2,1-2H3
InChIKeyUXQVPRVGIOXHCD-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.47
Rot. Bonds3

About [2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine

[2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine (PubChem CID 65040239) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is [2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine
PubChem CID65040239
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name[2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine
SMILESCOc1ccc(-c2nc3cc(CN)ccc3n2C)cc1Br
InChIInChI=1S/C16H16BrN3O/c1-20-14-5-3-10(9-18)7-13(14)19-16(20)11-4-6-15(21-2)12(17)8-11/h3-8H,9,18H2,1-2H3
InChIKeyUXQVPRVGIOXHCD-UHFFFAOYSA-N
XLogP3.47
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine (CID 65040239) is [2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine is COc1ccc(-c2nc3cc(CN)ccc3n2C)cc1Br.
What is the InChIKey of [2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine?
The InChIKey is UXQVPRVGIOXHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-20-14-5-3-10(9-18)7-13(14)19-16(20)11-4-6-15(21-2)12(17)8-11/h3-8H,9,18H2,1-2H3.
What are the key properties of [2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine?
[2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine has a molecular weight of 346.23 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 65040239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).