5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one

C18H24N2O — CID 115811755

IUPAC5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one
SMILESCCC(C)C(C(=O)CCc1nccn1C)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-4-14(2)18(15-8-6-5-7-9-15)16(21)10-11-17-19-12-13-20(17)3/h5-9,12-14,18H,4,10-11H2,1-3H3
InChIKeyNPZRCRDAIXHDNT-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.75
Rot. Bonds7

About 5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one

5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one (PubChem CID 115811755) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one.

Molecular Properties

Compound Name5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one
PubChem CID115811755
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one
SMILESCCC(C)C(C(=O)CCc1nccn1C)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-4-14(2)18(15-8-6-5-7-9-15)16(21)10-11-17-19-12-13-20(17)3/h5-9,12-14,18H,4,10-11H2,1-3H3
InChIKeyNPZRCRDAIXHDNT-UHFFFAOYSA-N
XLogP3.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one
CID 113218827
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481
1-(1-methylimidazol-2-yl)-4-propylheptan-3-one
CID 115811810
3-(1-methylimidazol-2-yl)-2-phenylpropanoic acid
CID 81008633
2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one
CID 114528615
1-(2-chlorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-one
CID 114529555
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
2-(3-bromo-3-phenylpropyl)-1-methylimidazole
CID 64509692
2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid
CID 114532954
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641
1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529457
1-(2-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-one
CID 114529460

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one?
The IUPAC name of 5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one (CID 115811755) is 5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one.
What is the SMILES notation for 5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one?
The canonical SMILES for 5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one is CCC(C)C(C(=O)CCc1nccn1C)c1ccccc1.
What is the InChIKey of 5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one?
The InChIKey is NPZRCRDAIXHDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-14(2)18(15-8-6-5-7-9-15)16(21)10-11-17-19-12-13-20(17)3/h5-9,12-14,18H,4,10-11H2,1-3H3.
What are the key properties of 5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one?
5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one has a molecular weight of 284.40 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one is sourced from PubChem (CID 115811755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).