1-benzyl-2-(chloromethyl)benzimidazole

C15H13ClN2 — CID 563436

IUPAC1-benzyl-2-(chloromethyl)benzimidazole
SMILESClCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C15H13ClN2/c16-10-15-17-13-8-4-5-9-14(13)18(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyAIEZSIAPQGBFRC-UHFFFAOYSA-N
MW256.74 g/mol
LogP3.82
Rot. Bonds3

About 1-benzyl-2-(chloromethyl)benzimidazole

1-benzyl-2-(chloromethyl)benzimidazole (PubChem CID 563436) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 1-benzyl-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-(chloromethyl)benzimidazole
PubChem CID563436
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name1-benzyl-2-(chloromethyl)benzimidazole
SMILESClCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C15H13ClN2/c16-10-15-17-13-8-4-5-9-14(13)18(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyAIEZSIAPQGBFRC-UHFFFAOYSA-N
XLogP3.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 53.82
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 1-benzyl-2-(chloromethyl)benzimidazole?
The IUPAC name of 1-benzyl-2-(chloromethyl)benzimidazole (CID 563436) is 1-benzyl-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 1-benzyl-2-(chloromethyl)benzimidazole?
The canonical SMILES for 1-benzyl-2-(chloromethyl)benzimidazole is ClCc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(chloromethyl)benzimidazole?
The InChIKey is AIEZSIAPQGBFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c16-10-15-17-13-8-4-5-9-14(13)18(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 1-benzyl-2-(chloromethyl)benzimidazole?
1-benzyl-2-(chloromethyl)benzimidazole has a molecular weight of 256.74 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 563436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).