1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide

C21H20BrN3 — CID 90670823

IUPAC1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19N3.BrH/c1-23-19-9-5-6-10-20(19)24(21(23)22)15-16-11-13-18(14-12-16)17-7-3-2-4-8-17;/h2-14,22H,15H2,1H3;1H/b22-21+;
InChIKeyIXNKWCZEMKWKBA-QUABFQRHSA-N
MW394.32 g/mol
LogP4.75
Rot. Bonds3

About 1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide

1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide (PubChem CID 90670823) has the molecular formula C21H20BrN3 and a molecular weight of 394.32 g/mol. Its IUPAC name is 1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide.

Molecular Properties

Compound Name1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide
PubChem CID90670823
Molecular FormulaC21H20BrN3
Molecular Weight394.32 g/mol
Exact Mass393.08
IUPAC Name1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19N3.BrH/c1-23-19-9-5-6-10-20(19)24(21(23)22)15-16-11-13-18(14-12-16)17-7-3-2-4-8-17;/h2-14,22H,15H2,1H3;1H/b22-21+;
InChIKeyIXNKWCZEMKWKBA-QUABFQRHSA-N
XLogP4.75
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide 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 1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide?
The IUPAC name of 1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide (CID 90670823) is 1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide.
What is the SMILES notation for 1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide?
The canonical SMILES for 1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide is Br.[H]/N=c1\n(C)c2ccccc2n1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide?
The InChIKey is IXNKWCZEMKWKBA-QUABFQRHSA-N. The full InChI is InChI=1S/C21H19N3.BrH/c1-23-19-9-5-6-10-20(19)24(21(23)22)15-16-11-13-18(14-12-16)17-7-3-2-4-8-17;/h2-14,22H,15H2,1H3;1H/b22-21+;.
What are the key properties of 1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide?
1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide has a molecular weight of 394.32 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-phenylphenyl)methyl]benzimidazol-2-imine;hydrobromide is sourced from PubChem (CID 90670823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).