cyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone

C14H14N2O — CID 177240956

IUPACcyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone
SMILESCn1c(-c2ccccc2)cnc1C(=O)C1CC1
InChIInChI=1S/C14H14N2O/c1-16-12(10-5-3-2-4-6-10)9-15-14(16)13(17)11-7-8-11/h2-6,9,11H,7-8H2,1H3
InChIKeyDXKGYSWYJJDHSJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.68
Rot. Bonds3

About cyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone

cyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone (PubChem CID 177240956) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is cyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone
PubChem CID177240956
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Namecyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone
SMILESCn1c(-c2ccccc2)cnc1C(=O)C1CC1
InChIInChI=1S/C14H14N2O/c1-16-12(10-5-3-2-4-6-10)9-15-14(16)13(17)11-7-8-11/h2-6,9,11H,7-8H2,1H3
InChIKeyDXKGYSWYJJDHSJ-UHFFFAOYSA-N
XLogP2.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methyl-5-phenylimidazol-2-yl)ethanone
CID 83383482
5-(3-chlorophenyl)-1-methylimidazole-2-carboxylic acid
CID 84699681
N-cyclohexyl-N-ethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 55374229
1-methyl-5-phenyl-2-propan-2-ylimidazole
CID 83381613
cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone
CID 138981933
N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-phenylimidazol-2-amine;oxalic acid
CID 163327080
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-5-phenylimidazol-2-yl)acetamide
CID 93242265
1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidine-4-carboxylic acid
CID 119166422
(3S)-1-(4-fluorophenyl)sulfonyl-N-(1-methyl-5-phenylimidazol-2-yl)pyrrolidine-3-carboxamide
CID 92633238
(2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 40670366
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 30165230

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone?
The IUPAC name of cyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone (CID 177240956) is cyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone.
What is the SMILES notation for cyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone?
The canonical SMILES for cyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone is Cn1c(-c2ccccc2)cnc1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone?
The InChIKey is DXKGYSWYJJDHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-16-12(10-5-3-2-4-6-10)9-15-14(16)13(17)11-7-8-11/h2-6,9,11H,7-8H2,1H3.
What are the key properties of cyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone?
cyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone has a molecular weight of 226.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1-methyl-5-phenylimidazol-2-yl)methanone is sourced from PubChem (CID 177240956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).