1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole

C16H14BrClN2 — CID 43666700

IUPAC1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2-c1cccc(Br)c1
InChIInChI=1S/C16H14BrClN2/c1-11-5-6-15-14(9-11)19-16(7-8-18)20(15)13-4-2-3-12(17)10-13/h2-6,9-10H,7-8H2,1H3
InChIKeyJGCGMHMLXMSVTE-UHFFFAOYSA-N
MW349.66 g/mol
LogP4.88
Rot. Bonds3

About 1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole

1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole (PubChem CID 43666700) has the molecular formula C16H14BrClN2 and a molecular weight of 349.66 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
PubChem CID43666700
Molecular FormulaC16H14BrClN2
Molecular Weight349.66 g/mol
Exact Mass348.00
IUPAC Name1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2-c1cccc(Br)c1
InChIInChI=1S/C16H14BrClN2/c1-11-5-6-15-14(9-11)19-16(7-8-18)20(15)13-4-2-3-12(17)10-13/h2-6,9-10H,7-8H2,1H3
InChIKeyJGCGMHMLXMSVTE-UHFFFAOYSA-N
XLogP4.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 54.88
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-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43806442
1-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43667361
1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66109821
1-(3-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292847
6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 116738653
2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)-5-methylbenzimidazole
CID 43667253
1-(3-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 63545191
1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole
CID 107576187
2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole
CID 43666954
2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
CID 43666918
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
CID 107637799
5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole
CID 43666790

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole?
The IUPAC name of 1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole (CID 43666700) is 1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole?
The canonical SMILES for 1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole is Cc1ccc2c(c1)nc(CCCl)n2-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole?
The InChIKey is JGCGMHMLXMSVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2/c1-11-5-6-15-14(9-11)19-16(7-8-18)20(15)13-4-2-3-12(17)10-13/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole?
1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole has a molecular weight of 349.66 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole is sourced from PubChem (CID 43666700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).