5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole

C21H23ClN2O — CID 50985924

IUPAC5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
SMILESCCCCc1c(-c2ccccc2OC)ncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O/c1-3-4-8-19-21(18-7-5-6-9-20(18)25-2)23-15-24(19)14-16-10-12-17(22)13-11-16/h5-7,9-13,15H,3-4,8,14H2,1-2H3
InChIKeyBICSIPGWMKTQEX-UHFFFAOYSA-N
MW354.88 g/mol
LogP5.60
Rot. Bonds7

About 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole

5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole (PubChem CID 50985924) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole.

Molecular Properties

Compound Name5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
PubChem CID50985924
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
SMILESCCCCc1c(-c2ccccc2OC)ncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O/c1-3-4-8-19-21(18-7-5-6-9-20(18)25-2)23-15-24(19)14-16-10-12-17(22)13-11-16/h5-7,9-13,15H,3-4,8,14H2,1-2H3
InChIKeyBICSIPGWMKTQEX-UHFFFAOYSA-N
XLogP5.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.88
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole?
The IUPAC name of 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole (CID 50985924) is 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole.
What is the SMILES notation for 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole?
The canonical SMILES for 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole is CCCCc1c(-c2ccccc2OC)ncn1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole?
The InChIKey is BICSIPGWMKTQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O/c1-3-4-8-19-21(18-7-5-6-9-20(18)25-2)23-15-24(19)14-16-10-12-17(22)13-11-16/h5-7,9-13,15H,3-4,8,14H2,1-2H3.
What are the key properties of 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole?
5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole has a molecular weight of 354.88 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole is sourced from PubChem (CID 50985924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).