2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole

C15H19ClN2O — CID 113393530

IUPAC2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole
SMILESCC(C)Oc1cccc2c1nc(CCl)n2C1CCC1
InChIInChI=1S/C15H19ClN2O/c1-10(2)19-13-8-4-7-12-15(13)17-14(9-16)18(12)11-5-3-6-11/h4,7-8,10-11H,3,5-6,9H2,1-2H3
InChIKeyCLIWLUHSSQVBHG-UHFFFAOYSA-N
MW278.78 g/mol
LogP4.29
Rot. Bonds4

About 2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole

2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole (PubChem CID 113393530) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole
PubChem CID113393530
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole
SMILESCC(C)Oc1cccc2c1nc(CCl)n2C1CCC1
InChIInChI=1S/C15H19ClN2O/c1-10(2)19-13-8-4-7-12-15(13)17-14(9-16)18(12)11-5-3-6-11/h4,7-8,10-11H,3,5-6,9H2,1-2H3
InChIKeyCLIWLUHSSQVBHG-UHFFFAOYSA-N
XLogP4.29
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole
CID 104838040
4-chloro-2-(chloromethyl)-1-(oxan-4-yl)benzimidazole
CID 104837704
2-(chloromethyl)-4-fluoro-1-(1-methylpiperidin-4-yl)benzimidazole
CID 60788770
2-(chloromethyl)-4-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole
CID 61222380
2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole
CID 114041872
2-(2-chloroethyl)-1-cyclobutylbenzimidazole-4-carbonitrile
CID 113445072
2-(chloromethyl)-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile
CID 104719479
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
4-chloro-2-(chloromethyl)-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 104837772
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831
1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine
CID 113393510

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole (CID 113393530) is 2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole is CC(C)Oc1cccc2c1nc(CCl)n2C1CCC1.
What is the InChIKey of 2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole?
The InChIKey is CLIWLUHSSQVBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-10(2)19-13-8-4-7-12-15(13)17-14(9-16)18(12)11-5-3-6-11/h4,7-8,10-11H,3,5-6,9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole?
2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole has a molecular weight of 278.78 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole is sourced from PubChem (CID 113393530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).