1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole

C20H15BrN2 — CID 17000494

IUPAC1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
SMILESBrc1cccc(Cn2c(-c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C20H15BrN2/c21-17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)22-20(23)16-8-2-1-3-9-16/h1-13H,14H2
InChIKeyAYRRGDXATGPLQV-UHFFFAOYSA-N
MW363.26 g/mol
LogP5.51
Rot. Bonds3

About 1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole

1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole (PubChem CID 17000494) has the molecular formula C20H15BrN2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
PubChem CID17000494
Molecular FormulaC20H15BrN2
Molecular Weight363.26 g/mol
Exact Mass362.04
IUPAC Name1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
SMILESBrc1cccc(Cn2c(-c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C20H15BrN2/c21-17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)22-20(23)16-8-2-1-3-9-16/h1-13H,14H2
InChIKeyAYRRGDXATGPLQV-UHFFFAOYSA-N
XLogP5.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.26
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 4624826
2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 17001152
2-(3-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole
CID 17001838
2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 17001142
2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole
CID 16987217
3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
CID 888730
2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 4202224
1-[(3-bromophenyl)methyl]-2-tert-butylbenzimidazole
CID 17000378
1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 63545927
1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
CID 115569313
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol
CID 15388681

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole (CID 17000494) is 1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole is Brc1cccc(Cn2c(-c3ccccc3)nc3ccccc32)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole?
The InChIKey is AYRRGDXATGPLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2/c21-17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)22-20(23)16-8-2-1-3-9-16/h1-13H,14H2.
What are the key properties of 1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole?
1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole has a molecular weight of 363.26 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole is sourced from PubChem (CID 17000494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).