5-chloro-1-(3-methoxypropyl)benzimidazole

C11H13ClN2O — CID 46308557

IUPAC5-chloro-1-(3-methoxypropyl)benzimidazole
SMILESCOCCCn1cnc2cc(Cl)ccc21
InChIInChI=1S/C11H13ClN2O/c1-15-6-2-5-14-8-13-10-7-9(12)3-4-11(10)14/h3-4,7-8H,2,5-6H2,1H3
InChIKeyBXMCIJLAMSQJRF-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.73
Rot. Bonds4

About 5-chloro-1-(3-methoxypropyl)benzimidazole

5-chloro-1-(3-methoxypropyl)benzimidazole (PubChem CID 46308557) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 5-chloro-1-(3-methoxypropyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-1-(3-methoxypropyl)benzimidazole
PubChem CID46308557
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name5-chloro-1-(3-methoxypropyl)benzimidazole
SMILESCOCCCn1cnc2cc(Cl)ccc21
InChIInChI=1S/C11H13ClN2O/c1-15-6-2-5-14-8-13-10-7-9(12)3-4-11(10)14/h3-4,7-8H,2,5-6H2,1H3
InChIKeyBXMCIJLAMSQJRF-UHFFFAOYSA-N
XLogP2.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3-methoxypropyl)benzimidazole?
The IUPAC name of 5-chloro-1-(3-methoxypropyl)benzimidazole (CID 46308557) is 5-chloro-1-(3-methoxypropyl)benzimidazole.
What is the SMILES notation for 5-chloro-1-(3-methoxypropyl)benzimidazole?
The canonical SMILES for 5-chloro-1-(3-methoxypropyl)benzimidazole is COCCCn1cnc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-(3-methoxypropyl)benzimidazole?
The InChIKey is BXMCIJLAMSQJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-15-6-2-5-14-8-13-10-7-9(12)3-4-11(10)14/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of 5-chloro-1-(3-methoxypropyl)benzimidazole?
5-chloro-1-(3-methoxypropyl)benzimidazole has a molecular weight of 224.69 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3-methoxypropyl)benzimidazole is sourced from PubChem (CID 46308557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).