2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol

C22H18BrClN2O — CID 2858915

IUPAC2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol
SMILESOC(Cc1nc2ccccc2n1Cc1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C22H18BrClN2O/c23-16-11-9-15(10-12-16)14-26-20-8-4-3-7-19(20)25-22(26)13-21(27)17-5-1-2-6-18(17)24/h1-12,21,27H,13-14H2
InChIKeyWBLUYUHRZSKSTI-UHFFFAOYSA-N
MW441.76 g/mol
LogP5.78
Rot. Bonds5

About 2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol

2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol (PubChem CID 2858915) has the molecular formula C22H18BrClN2O and a molecular weight of 441.76 g/mol. Its IUPAC name is 2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol
PubChem CID2858915
Molecular FormulaC22H18BrClN2O
Molecular Weight441.76 g/mol
Exact Mass440.03
IUPAC Name2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol
SMILESOC(Cc1nc2ccccc2n1Cc1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C22H18BrClN2O/c23-16-11-9-15(10-12-16)14-26-20-8-4-3-7-19(20)25-22(26)13-21(27)17-5-1-2-6-18(17)24/h1-12,21,27H,13-14H2
InChIKeyWBLUYUHRZSKSTI-UHFFFAOYSA-N
XLogP5.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.76
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol
CID 40871585
(1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 94379793
2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638416
1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole
CID 17002114
1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987379
1-[(4-bromophenyl)methyl]-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 16997072
1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol
CID 47276894
2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
CID 110897801
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974153
1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79756071
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978942
(2-chlorophenyl) 3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-2-(2-chlorophenyl)prop-2-enoate
CID 3113093

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol?
The IUPAC name of 2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol (CID 2858915) is 2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol is OC(Cc1nc2ccccc2n1Cc1ccc(Br)cc1)c1ccccc1Cl.
What is the InChIKey of 2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol?
The InChIKey is WBLUYUHRZSKSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrClN2O/c23-16-11-9-15(10-12-16)14-26-20-8-4-3-7-19(20)25-22(26)13-21(27)17-5-1-2-6-18(17)24/h1-12,21,27H,13-14H2.
What are the key properties of 2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol?
2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol has a molecular weight of 441.76 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol is sourced from PubChem (CID 2858915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).