2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile

C15H8Cl3N3 — CID 104719274

IUPAC2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(CCl)n2-c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H8Cl3N3/c16-7-14-20-15-9(8-19)2-1-3-12(15)21(14)13-6-10(17)4-5-11(13)18/h1-6H,7H2
InChIKeySVRNWJSSTLOXCU-UHFFFAOYSA-N
MW336.61 g/mol
LogP4.94
Rot. Bonds2

About 2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile

2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile (PubChem CID 104719274) has the molecular formula C15H8Cl3N3 and a molecular weight of 336.61 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile
PubChem CID104719274
Molecular FormulaC15H8Cl3N3
Molecular Weight336.61 g/mol
Exact Mass334.98
IUPAC Name2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(CCl)n2-c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H8Cl3N3/c16-7-14-20-15-9(8-19)2-1-3-12(15)21(14)13-6-10(17)4-5-11(13)18/h1-6H,7H2
InChIKeySVRNWJSSTLOXCU-UHFFFAOYSA-N
XLogP4.94
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.61
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-(3-methylphenyl)benzimidazole-4-carbonitrile
CID 104719319
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]benzimidazole-4-carbonitrile
CID 104719153
1-(4-bromophenyl)-2-(chloromethyl)benzimidazole-4-carbonitrile
CID 104719316
1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)benzimidazole-4-carbonitrile
CID 107601645
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole
CID 107637832
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719292
2-(chloromethyl)-1-(1-methylpyrazol-3-yl)benzimidazole-4-carbonitrile
CID 104719818
4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 104837476
2-(chloromethyl)-1-propan-2-ylbenzimidazole-4-carbonitrile
CID 104719165
2-[2-(chloromethyl)-4-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile
CID 60789752
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-6-methylbenzonitrile
CID 107799721
2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-4-chlorobenzonitrile
CID 65346123

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile (CID 104719274) is 2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile is N#Cc1cccc2c1nc(CCl)n2-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile?
The InChIKey is SVRNWJSSTLOXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3N3/c16-7-14-20-15-9(8-19)2-1-3-12(15)21(14)13-6-10(17)4-5-11(13)18/h1-6H,7H2.
What are the key properties of 2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile?
2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile has a molecular weight of 336.61 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104719274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).