2-(chloromethyl)-5-methyl-1-propylbenzimidazole

C12H15ClN2 — CID 43660232

IUPAC2-(chloromethyl)-5-methyl-1-propylbenzimidazole
SMILESCCCn1c(CCl)nc2cc(C)ccc21
InChIInChI=1S/C12H15ClN2/c1-3-6-15-11-5-4-9(2)7-10(11)14-12(15)8-13/h4-5,7H,3,6,8H2,1-2H3
InChIKeySNPZCUDMSUAOFN-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.49
Rot. Bonds3

About 2-(chloromethyl)-5-methyl-1-propylbenzimidazole

2-(chloromethyl)-5-methyl-1-propylbenzimidazole (PubChem CID 43660232) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-1-propylbenzimidazole
PubChem CID43660232
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-(chloromethyl)-5-methyl-1-propylbenzimidazole
SMILESCCCn1c(CCl)nc2cc(C)ccc21
InChIInChI=1S/C12H15ClN2/c1-3-6-15-11-5-4-9(2)7-10(11)14-12(15)8-13/h4-5,7H,3,6,8H2,1-2H3
InChIKeySNPZCUDMSUAOFN-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-1-propylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-5-methyl-1-propylbenzimidazole (CID 43660232) is 2-(chloromethyl)-5-methyl-1-propylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-1-propylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-methyl-1-propylbenzimidazole is CCCn1c(CCl)nc2cc(C)ccc21.
What is the InChIKey of 2-(chloromethyl)-5-methyl-1-propylbenzimidazole?
The InChIKey is SNPZCUDMSUAOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-3-6-15-11-5-4-9(2)7-10(11)14-12(15)8-13/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-methyl-1-propylbenzimidazole?
2-(chloromethyl)-5-methyl-1-propylbenzimidazole has a molecular weight of 222.72 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-1-propylbenzimidazole is sourced from PubChem (CID 43660232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).