2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole

C15H14ClN3 — CID 43660329

IUPAC2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2Cc1cccnc1
InChIInChI=1S/C15H14ClN3/c1-11-4-5-14-13(7-11)18-15(8-16)19(14)10-12-3-2-6-17-9-12/h2-7,9H,8,10H2,1H3
InChIKeyYUQGCAKSHHTHJW-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.53
Rot. Bonds3

About 2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole

2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole (PubChem CID 43660329) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole
PubChem CID43660329
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2Cc1cccnc1
InChIInChI=1S/C15H14ClN3/c1-11-4-5-14-13(7-11)18-15(8-16)19(14)10-12-3-2-6-17-9-12/h2-7,9H,8,10H2,1H3
InChIKeyYUQGCAKSHHTHJW-UHFFFAOYSA-N
XLogP3.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.53
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

5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole
CID 43666644
2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 55079755
2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole
CID 60902601
2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole
CID 61167651
2-(chloromethyl)-5-iodo-1-[(4-methylphenyl)methyl]benzimidazole
CID 66079632
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole
CID 116738645
2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole
CID 106900389
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
5-methyl-1-(pyridin-3-ylmethyl)indole
CID 116622934
2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole
CID 43660334
2-(chloromethyl)-5-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 63960619

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole (CID 43660329) is 2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole is Cc1ccc2c(c1)nc(CCl)n2Cc1cccnc1.
What is the InChIKey of 2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole?
The InChIKey is YUQGCAKSHHTHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-11-4-5-14-13(7-11)18-15(8-16)19(14)10-12-3-2-6-17-9-12/h2-7,9H,8,10H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole?
2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole has a molecular weight of 271.75 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 43660329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).