1-butyl-4,5-dimethyl-2-phenylimidazole

C15H20N2 — CID 122623668

IUPAC1-butyl-4,5-dimethyl-2-phenylimidazole
SMILESCCCCn1c(-c2ccccc2)nc(C)c1C
InChIInChI=1S/C15H20N2/c1-4-5-11-17-13(3)12(2)16-15(17)14-9-7-6-8-10-14/h6-10H,4-5,11H2,1-3H3
InChIKeyVYHMOUOGIAIHEP-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.97
Rot. Bonds4

About 1-butyl-4,5-dimethyl-2-phenylimidazole

1-butyl-4,5-dimethyl-2-phenylimidazole (PubChem CID 122623668) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-butyl-4,5-dimethyl-2-phenylimidazole.

Molecular Properties

Compound Name1-butyl-4,5-dimethyl-2-phenylimidazole
PubChem CID122623668
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-butyl-4,5-dimethyl-2-phenylimidazole
SMILESCCCCn1c(-c2ccccc2)nc(C)c1C
InChIInChI=1S/C15H20N2/c1-4-5-11-17-13(3)12(2)16-15(17)14-9-7-6-8-10-14/h6-10H,4-5,11H2,1-3H3
InChIKeyVYHMOUOGIAIHEP-UHFFFAOYSA-N
XLogP3.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-5-phenyl-1H-imidazole
CID 10444038
1-Benzyl-2-phenylbenzimidazole
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2-Cyclohexyl-1-methylbenzimidazole
CID 2991075
1-methyl-2-(2-phenylvinyl)-1H-benzimidazole
CID 5708370
4-Methyl-2-phenyl-1H-imidazole
CID 70012
1-Methyl-5-phenyl-imidazol-2-amine
CID 1132927
1,2-dibenzyl-1H-1,3-benzodiazole
CID 1350539
1-Methyl-5-phenyl-1H-imidazole
CID 3746343
5-[3-(1H-imidazol-1-yl)propyl]-7,8-dihydroquinoline
CID 10586086
Pyridine, 3-(1-methyl-1H-imidazol-4-yl)-
CID 11344157
1-(4-Cyanobenzyl)-5-methyl-1H-imidazole
CID 14231155

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4,5-dimethyl-2-phenylimidazole?
The IUPAC name of 1-butyl-4,5-dimethyl-2-phenylimidazole (CID 122623668) is 1-butyl-4,5-dimethyl-2-phenylimidazole.
What is the SMILES notation for 1-butyl-4,5-dimethyl-2-phenylimidazole?
The canonical SMILES for 1-butyl-4,5-dimethyl-2-phenylimidazole is CCCCn1c(-c2ccccc2)nc(C)c1C.
What is the InChIKey of 1-butyl-4,5-dimethyl-2-phenylimidazole?
The InChIKey is VYHMOUOGIAIHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-5-11-17-13(3)12(2)16-15(17)14-9-7-6-8-10-14/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 1-butyl-4,5-dimethyl-2-phenylimidazole?
1-butyl-4,5-dimethyl-2-phenylimidazole has a molecular weight of 228.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4,5-dimethyl-2-phenylimidazole is sourced from PubChem (CID 122623668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).