1-butyl-4-(2-chlorophenyl)imidazole

C13H15ClN2 — CID 174588964

IUPAC1-butyl-4-(2-chlorophenyl)imidazole
SMILESCCCCn1cnc(-c2ccccc2Cl)c1
InChIInChI=1S/C13H15ClN2/c1-2-3-8-16-9-13(15-10-16)11-6-4-5-7-12(11)14/h4-7,9-10H,2-3,8H2,1H3
InChIKeyPXGWSTFPPXGVGU-UHFFFAOYSA-N
MW234.73 g/mol
LogP4.00
Rot. Bonds4

About 1-butyl-4-(2-chlorophenyl)imidazole

1-butyl-4-(2-chlorophenyl)imidazole (PubChem CID 174588964) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-butyl-4-(2-chlorophenyl)imidazole.

Molecular Properties

Compound Name1-butyl-4-(2-chlorophenyl)imidazole
PubChem CID174588964
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name1-butyl-4-(2-chlorophenyl)imidazole
SMILESCCCCn1cnc(-c2ccccc2Cl)c1
InChIInChI=1S/C13H15ClN2/c1-2-3-8-16-9-13(15-10-16)11-6-4-5-7-12(11)14/h4-7,9-10H,2-3,8H2,1H3
InChIKeyPXGWSTFPPXGVGU-UHFFFAOYSA-N
XLogP4.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2-chlorophenyl)imidazole?
The IUPAC name of 1-butyl-4-(2-chlorophenyl)imidazole (CID 174588964) is 1-butyl-4-(2-chlorophenyl)imidazole.
What is the SMILES notation for 1-butyl-4-(2-chlorophenyl)imidazole?
The canonical SMILES for 1-butyl-4-(2-chlorophenyl)imidazole is CCCCn1cnc(-c2ccccc2Cl)c1.
What is the InChIKey of 1-butyl-4-(2-chlorophenyl)imidazole?
The InChIKey is PXGWSTFPPXGVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-2-3-8-16-9-13(15-10-16)11-6-4-5-7-12(11)14/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of 1-butyl-4-(2-chlorophenyl)imidazole?
1-butyl-4-(2-chlorophenyl)imidazole has a molecular weight of 234.73 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2-chlorophenyl)imidazole is sourced from PubChem (CID 174588964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).