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

C22H26N2O — CID 51049932

IUPAC5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole
SMILESCCCCc1c(-c2ccccc2OC)ncn1Cc1ccccc1C
InChIInChI=1S/C22H26N2O/c1-4-5-13-20-22(19-12-8-9-14-21(19)25-3)23-16-24(20)15-18-11-7-6-10-17(18)2/h6-12,14,16H,4-5,13,15H2,1-3H3
InChIKeyKSJQQDQWWUNRGK-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.26
Rot. Bonds7

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

5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole (PubChem CID 51049932) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole.

Molecular Properties

Compound Name5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole
PubChem CID51049932
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole
SMILESCCCCc1c(-c2ccccc2OC)ncn1Cc1ccccc1C
InChIInChI=1S/C22H26N2O/c1-4-5-13-20-22(19-12-8-9-14-21(19)25-3)23-16-24(20)15-18-11-7-6-10-17(18)2/h6-12,14,16H,4-5,13,15H2,1-3H3
InChIKeyKSJQQDQWWUNRGK-UHFFFAOYSA-N
XLogP5.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole?
The IUPAC name of 5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole (CID 51049932) is 5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole.
What is the SMILES notation for 5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole?
The canonical SMILES for 5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole is CCCCc1c(-c2ccccc2OC)ncn1Cc1ccccc1C.
What is the InChIKey of 5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole?
The InChIKey is KSJQQDQWWUNRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-4-5-13-20-22(19-12-8-9-14-21(19)25-3)23-16-24(20)15-18-11-7-6-10-17(18)2/h6-12,14,16H,4-5,13,15H2,1-3H3.
What are the key properties of 5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole?
5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole has a molecular weight of 334.46 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole is sourced from PubChem (CID 51049932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).