1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole

C20H14BrClN2 — CID 17002114

IUPAC1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole
SMILESClc1ccccc1-c1nc2ccccc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C20H14BrClN2/c21-15-11-9-14(10-12-15)13-24-19-8-4-3-7-18(19)23-20(24)16-5-1-2-6-17(16)22/h1-12H,13H2
InChIKeyHKYAKJUCKPISHU-UHFFFAOYSA-N
MW397.70 g/mol
LogP6.17
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole

1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole (PubChem CID 17002114) has the molecular formula C20H14BrClN2 and a molecular weight of 397.70 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole
PubChem CID17002114
Molecular FormulaC20H14BrClN2
Molecular Weight397.70 g/mol
Exact Mass396.00
IUPAC Name1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole
SMILESClc1ccccc1-c1nc2ccccc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C20H14BrClN2/c21-15-11-9-14(10-12-15)13-24-19-8-4-3-7-18(19)23-20(24)16-5-1-2-6-17(16)22/h1-12H,13H2
InChIKeyHKYAKJUCKPISHU-UHFFFAOYSA-N
XLogP6.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.70
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016
2-(3-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole
CID 17001838
1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 18879503
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole
CID 4303515
2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638416
[4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150130
1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 134083955
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000629
2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole
CID 18878777

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole (CID 17002114) is 1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole is Clc1ccccc1-c1nc2ccccc2n1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole?
The InChIKey is HKYAKJUCKPISHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClN2/c21-15-11-9-14(10-12-15)13-24-19-8-4-3-7-18(19)23-20(24)16-5-1-2-6-17(16)22/h1-12H,13H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole?
1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole has a molecular weight of 397.70 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole is sourced from PubChem (CID 17002114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).