1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone

C15H18N2O — CID 43797826

IUPAC1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
SMILESCc1cccc(C(=O)Cn2ccnc2C(C)C)c1
InChIInChI=1S/C15H18N2O/c1-11(2)15-16-7-8-17(15)10-14(18)13-6-4-5-12(3)9-13/h4-9,11H,10H2,1-3H3
InChIKeyJEFSIKFGHNGWBB-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.20
Rot. Bonds4

About 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone

1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone (PubChem CID 43797826) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
PubChem CID43797826
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
SMILESCc1cccc(C(=O)Cn2ccnc2C(C)C)c1
InChIInChI=1S/C15H18N2O/c1-11(2)15-16-7-8-17(15)10-14(18)13-6-4-5-12(3)9-13/h4-9,11H,10H2,1-3H3
InChIKeyJEFSIKFGHNGWBB-UHFFFAOYSA-N
XLogP3.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
CID 43797792
1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
CID 43797796
1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797893
1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 61308181
2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90561106
2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198911
N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494174
1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797940
1-cyclopropyl-3-[2-(3-methylphenyl)-2-oxoethyl]imidazol-2-one
CID 80581515
1-phenyl-2-(2-phenylimidazol-1-yl)ethanone
CID 61069382
2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid
CID 113314417

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone?
The IUPAC name of 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone (CID 43797826) is 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone is Cc1cccc(C(=O)Cn2ccnc2C(C)C)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone?
The InChIKey is JEFSIKFGHNGWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(2)15-16-7-8-17(15)10-14(18)13-6-4-5-12(3)9-13/h4-9,11H,10H2,1-3H3.
What are the key properties of 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone?
1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone has a molecular weight of 242.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone is sourced from PubChem (CID 43797826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).