2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole

C14H18ClN3 — CID 83018305

IUPAC2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole
SMILESCC(Cl)c1nc2ccccc2n1N1CCCCC1
InChIInChI=1S/C14H18ClN3/c1-11(15)14-16-12-7-3-4-8-13(12)18(14)17-9-5-2-6-10-17/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyVNMZQZQSINCKOD-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.46
Rot. Bonds2

About 2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole

2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole (PubChem CID 83018305) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole
PubChem CID83018305
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole
SMILESCC(Cl)c1nc2ccccc2n1N1CCCCC1
InChIInChI=1S/C14H18ClN3/c1-11(15)14-16-12-7-3-4-8-13(12)18(14)17-9-5-2-6-10-17/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyVNMZQZQSINCKOD-UHFFFAOYSA-N
XLogP3.46
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole (CID 83018305) is 2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole is CC(Cl)c1nc2ccccc2n1N1CCCCC1.
What is the InChIKey of 2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole?
The InChIKey is VNMZQZQSINCKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-11(15)14-16-12-7-3-4-8-13(12)18(14)17-9-5-2-6-10-17/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of 2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole?
2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole has a molecular weight of 263.77 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole is sourced from PubChem (CID 83018305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).