1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole

C17H17ClN2 — CID 115552681

IUPAC1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole
SMILESCc1cccc2nc(CCCl)n(Cc3ccccc3)c12
InChIInChI=1S/C17H17ClN2/c1-13-6-5-9-15-17(13)20(16(19-15)10-11-18)12-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3
InChIKeyCTQIKHPLOMFZCZ-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.17
Rot. Bonds4

About 1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole

1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole (PubChem CID 115552681) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole.

Molecular Properties

Compound Name1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole
PubChem CID115552681
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole
SMILESCc1cccc2nc(CCCl)n(Cc3ccccc3)c12
InChIInChI=1S/C17H17ClN2/c1-13-6-5-9-15-17(13)20(16(19-15)10-11-18)12-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3
InChIKeyCTQIKHPLOMFZCZ-UHFFFAOYSA-N
XLogP4.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.17
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-(2-chloroethyl)-7-methylbenzimidazole?
The IUPAC name of 1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole (CID 115552681) is 1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole.
What is the SMILES notation for 1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole?
The canonical SMILES for 1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole is Cc1cccc2nc(CCCl)n(Cc3ccccc3)c12.
What is the InChIKey of 1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole?
The InChIKey is CTQIKHPLOMFZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-13-6-5-9-15-17(13)20(16(19-15)10-11-18)12-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3.
What are the key properties of 1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole?
1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole has a molecular weight of 284.79 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole is sourced from PubChem (CID 115552681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).