4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole

C14H9Br2ClN2 — CID 91686358

IUPAC4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole
SMILESClc1cc(Br)c2nc(Cc3ccc(Br)cc3)[nH]c2c1
InChIInChI=1S/C14H9Br2ClN2/c15-9-3-1-8(2-4-9)5-13-18-12-7-10(17)6-11(16)14(12)19-13/h1-4,6-7H,5H2,(H,18,19)
InChIKeyUHWWTFKFMCEKBL-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.33
Rot. Bonds2

About 4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole

4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole (PubChem CID 91686358) has the molecular formula C14H9Br2ClN2 and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole
PubChem CID91686358
Molecular FormulaC14H9Br2ClN2
Molecular Weight400.50 g/mol
Exact Mass397.88
IUPAC Name4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole
SMILESClc1cc(Br)c2nc(Cc3ccc(Br)cc3)[nH]c2c1
InChIInChI=1S/C14H9Br2ClN2/c15-9-3-1-8(2-4-9)5-13-18-12-7-10(17)6-11(16)14(12)19-13/h1-4,6-7H,5H2,(H,18,19)
InChIKeyUHWWTFKFMCEKBL-UHFFFAOYSA-N
XLogP5.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole?
The IUPAC name of 4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole (CID 91686358) is 4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole.
What is the SMILES notation for 4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole?
The canonical SMILES for 4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole is Clc1cc(Br)c2nc(Cc3ccc(Br)cc3)[nH]c2c1.
What is the InChIKey of 4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole?
The InChIKey is UHWWTFKFMCEKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2ClN2/c15-9-3-1-8(2-4-9)5-13-18-12-7-10(17)6-11(16)14(12)19-13/h1-4,6-7H,5H2,(H,18,19).
What are the key properties of 4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole?
4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole has a molecular weight of 400.50 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole is sourced from PubChem (CID 91686358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).