3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one

C23H22N2O — CID 162402925

IUPAC3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one
SMILESCC1=C(c2c(-c3ccccc3)ncn2Cc2ccccc2)CCCC1=O
InChIInChI=1S/C23H22N2O/c1-17-20(13-8-14-21(17)26)23-22(19-11-6-3-7-12-19)24-16-25(23)15-18-9-4-2-5-10-18/h2-7,9-12,16H,8,13-15H2,1H3
InChIKeyJCFWEORDPMJOJF-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.12
Rot. Bonds4

About 3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one

3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one (PubChem CID 162402925) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one
PubChem CID162402925
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one
SMILESCC1=C(c2c(-c3ccccc3)ncn2Cc2ccccc2)CCCC1=O
InChIInChI=1S/C23H22N2O/c1-17-20(13-8-14-21(17)26)23-22(19-11-6-3-7-12-19)24-16-25(23)15-18-9-4-2-5-10-18/h2-7,9-12,16H,8,13-15H2,1H3
InChIKeyJCFWEORDPMJOJF-UHFFFAOYSA-N
XLogP5.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794352
N-(3-benzyl-5-phenylimidazol-4-yl)acetamide
CID 166206532
1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione
CID 11312718
1-benzyl-7-chloro-3-methyl-5,6-dihydro-4H-indol-2-one
CID 12827998
4,5-diphenyl-1-propylimidazole
CID 14950648
2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid
CID 50960351
2,3-diphenylcyclohex-2-en-1-one
CID 2748361
3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one
CID 157220285
1-[2-[5-(2-ethylphenyl)-4-phenylimidazol-1-yl]ethyl]pyrrolidin-2-one
CID 50948298
3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961
5-[(4-methylphenyl)methyl]-11-[(4-phenylphenyl)methyl]-3,5,7,9,11,13-hexazatricyclo[8.3.0.02,6]trideca-1(10),2(6),8,12-tetraen-4-one
CID 76806536
1-benzyl-3-ethyl-2-methylpyrrole
CID 135021751

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one?
The IUPAC name of 3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one (CID 162402925) is 3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one?
The canonical SMILES for 3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one is CC1=C(c2c(-c3ccccc3)ncn2Cc2ccccc2)CCCC1=O.
What is the InChIKey of 3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one?
The InChIKey is JCFWEORDPMJOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-17-20(13-8-14-21(17)26)23-22(19-11-6-3-7-12-19)24-16-25(23)15-18-9-4-2-5-10-18/h2-7,9-12,16H,8,13-15H2,1H3.
What are the key properties of 3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one?
3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one has a molecular weight of 342.44 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-5-phenylimidazol-4-yl)-2-methylcyclohex-2-en-1-one is sourced from PubChem (CID 162402925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).