2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole

C14H10BrClN2 — CID 64722299

IUPAC2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole
SMILESClc1cccc2[nH]c(Cc3ccc(Br)cc3)nc12
InChIInChI=1S/C14H10BrClN2/c15-10-6-4-9(5-7-10)8-13-17-12-3-1-2-11(16)14(12)18-13/h1-7H,8H2,(H,17,18)
InChIKeyVHVLOAATJYQMAN-UHFFFAOYSA-N
MW321.61 g/mol
LogP4.57
Rot. Bonds2

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

2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole (PubChem CID 64722299) has the molecular formula C14H10BrClN2 and a molecular weight of 321.61 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole
PubChem CID64722299
Molecular FormulaC14H10BrClN2
Molecular Weight321.61 g/mol
Exact Mass319.97
IUPAC Name2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole
SMILESClc1cccc2[nH]c(Cc3ccc(Br)cc3)nc12
InChIInChI=1S/C14H10BrClN2/c15-10-6-4-9(5-7-10)8-13-17-12-3-1-2-11(16)14(12)18-13/h1-7H,8H2,(H,17,18)
InChIKeyVHVLOAATJYQMAN-UHFFFAOYSA-N
XLogP4.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.61
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole?
The IUPAC name of 2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole (CID 64722299) is 2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole is Clc1cccc2[nH]c(Cc3ccc(Br)cc3)nc12.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole?
The InChIKey is VHVLOAATJYQMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2/c15-10-6-4-9(5-7-10)8-13-17-12-3-1-2-11(16)14(12)18-13/h1-7H,8H2,(H,17,18).
What are the key properties of 2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole?
2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole has a molecular weight of 321.61 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole is sourced from PubChem (CID 64722299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).