2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline

C17H18ClN3 — CID 106760326

IUPAC2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline
SMILESCc1ccc2c(c1)nc(CCl)n2-c1ccccc1N(C)C
InChIInChI=1S/C17H18ClN3/c1-12-8-9-14-13(10-12)19-17(11-18)21(14)16-7-5-4-6-15(16)20(2)3/h4-10H,11H2,1-3H3
InChIKeyNQKJSEWJMMGGLX-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.14
Rot. Bonds3

About 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline

2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline (PubChem CID 106760326) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline
PubChem CID106760326
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline
SMILESCc1ccc2c(c1)nc(CCl)n2-c1ccccc1N(C)C
InChIInChI=1S/C17H18ClN3/c1-12-8-9-14-13(10-12)19-17(11-18)21(14)16-7-5-4-6-15(16)20(2)3/h4-10H,11H2,1-3H3
InChIKeyNQKJSEWJMMGGLX-UHFFFAOYSA-N
XLogP4.14
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.14
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)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole
CID 43660844
2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43660436
1-(2-bromo-4-methylphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660921
2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
CID 43666918
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline
CID 106760331
2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole
CID 107601483
1-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 102854313
4-chloro-2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]benzonitrile
CID 64918563
1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole
CID 82766784
2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline
CID 106760346
2-(chloromethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43660372
2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole
CID 63547219

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline?
The IUPAC name of 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline (CID 106760326) is 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline?
The canonical SMILES for 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline is Cc1ccc2c(c1)nc(CCl)n2-c1ccccc1N(C)C.
What is the InChIKey of 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline?
The InChIKey is NQKJSEWJMMGGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-12-8-9-14-13(10-12)19-17(11-18)21(14)16-7-5-4-6-15(16)20(2)3/h4-10H,11H2,1-3H3.
What are the key properties of 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline?
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline has a molecular weight of 299.81 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline is sourced from PubChem (CID 106760326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).