7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol

C21H17BrN2O — CID 67701878

IUPAC7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol
SMILESCc1cccc(-c2nc3c(Cc4ccccc4Br)cc(O)cc3[nH]2)c1
InChIInChI=1S/C21H17BrN2O/c1-13-5-4-7-15(9-13)21-23-19-12-17(25)11-16(20(19)24-21)10-14-6-2-3-8-18(14)22/h2-9,11-12,25H,10H2,1H3,(H,23,24)
InChIKeyHWENLKMHHUAUDX-UHFFFAOYSA-N
MW393.28 g/mol
LogP5.60
Rot. Bonds3

About 7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol

7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol (PubChem CID 67701878) has the molecular formula C21H17BrN2O and a molecular weight of 393.28 g/mol. Its IUPAC name is 7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol
PubChem CID67701878
Molecular FormulaC21H17BrN2O
Molecular Weight393.28 g/mol
Exact Mass392.05
IUPAC Name7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol
SMILESCc1cccc(-c2nc3c(Cc4ccccc4Br)cc(O)cc3[nH]2)c1
InChIInChI=1S/C21H17BrN2O/c1-13-5-4-7-15(9-13)21-23-19-12-17(25)11-16(20(19)24-21)10-14-6-2-3-8-18(14)22/h2-9,11-12,25H,10H2,1H3,(H,23,24)
InChIKeyHWENLKMHHUAUDX-UHFFFAOYSA-N
XLogP5.60
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.28
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol 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 7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol?
The IUPAC name of 7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol (CID 67701878) is 7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol is Cc1cccc(-c2nc3c(Cc4ccccc4Br)cc(O)cc3[nH]2)c1.
What is the InChIKey of 7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol?
The InChIKey is HWENLKMHHUAUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O/c1-13-5-4-7-15(9-13)21-23-19-12-17(25)11-16(20(19)24-21)10-14-6-2-3-8-18(14)22/h2-9,11-12,25H,10H2,1H3,(H,23,24).
What are the key properties of 7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol?
7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol has a molecular weight of 393.28 g/mol, XLogP of 5.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 67701878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).