6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole

C16H13Br2ClN2 — CID 65345047

IUPAC6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Br)cc2n1Cc1cccc(Br)c1
InChIInChI=1S/C16H13Br2ClN2/c1-10(19)16-20-14-6-5-13(18)8-15(14)21(16)9-11-3-2-4-12(17)7-11/h2-8,10H,9H2,1H3
InChIKeyJWOLIUHDIJMPRX-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.91
Rot. Bonds3

About 6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole

6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole (PubChem CID 65345047) has the molecular formula C16H13Br2ClN2 and a molecular weight of 428.56 g/mol. Its IUPAC name is 6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
PubChem CID65345047
Molecular FormulaC16H13Br2ClN2
Molecular Weight428.56 g/mol
Exact Mass425.91
IUPAC Name6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Br)cc2n1Cc1cccc(Br)c1
InChIInChI=1S/C16H13Br2ClN2/c1-10(19)16-20-14-6-5-13(18)8-15(14)21(16)9-11-3-2-4-12(17)7-11/h2-8,10H,9H2,1H3
InChIKeyJWOLIUHDIJMPRX-UHFFFAOYSA-N
XLogP5.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 63545927
1-[(4-bromophenyl)methyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115470996
6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole
CID 65346717
3-[(3-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279281
5-[[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-3-methyl-1,2-oxazole
CID 65346238
6-bromo-2-(1-chloroethyl)-1-[(1-methylpyrazol-3-yl)methyl]benzimidazole
CID 82873445
6-bromo-2-(1-chloroethyl)-1-(5-methylhexyl)benzimidazole
CID 115326631
2-[[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 65346321
1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 65346141
6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115470870
4-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 65346195
2-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylacetamide
CID 65345135

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole?
The IUPAC name of 6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole (CID 65345047) is 6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole.
What is the SMILES notation for 6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole?
The canonical SMILES for 6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole is CC(Cl)c1nc2ccc(Br)cc2n1Cc1cccc(Br)c1.
What is the InChIKey of 6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole?
The InChIKey is JWOLIUHDIJMPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2ClN2/c1-10(19)16-20-14-6-5-13(18)8-15(14)21(16)9-11-3-2-4-12(17)7-11/h2-8,10H,9H2,1H3.
What are the key properties of 6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole?
6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole has a molecular weight of 428.56 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole is sourced from PubChem (CID 65345047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).