(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone

C13H14N2O — CID 61316085

IUPAC(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
SMILESCCn1ccnc1C(=O)c1ccccc1C
InChIInChI=1S/C13H14N2O/c1-3-15-9-8-14-13(15)12(16)11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3
InChIKeyGNWOBMGAOZDUSL-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.44
Rot. Bonds3

About (1-ethylimidazol-2-yl)-(2-methylphenyl)methanone

(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone (PubChem CID 61316085) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
PubChem CID61316085
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
SMILESCCn1ccnc1C(=O)c1ccccc1C
InChIInChI=1S/C13H14N2O/c1-3-15-9-8-14-13(15)12(16)11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3
InChIKeyGNWOBMGAOZDUSL-UHFFFAOYSA-N
XLogP2.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81477833
[2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116577477
(2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone
CID 65453989
(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 61316659
(1-ethylimidazol-2-yl)-(6-methyl-2-pyridinyl)methanone
CID 63977122
(2-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206823
(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
CID 114026338
(1-ethylimidazol-2-yl)-(1H-imidazol-2-yl)methanone
CID 18960771
(5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone
CID 65360718
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 25284874
(4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone
CID 61314198
(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone
CID 107099568

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(2-methylphenyl)methanone?
The IUPAC name of (1-ethylimidazol-2-yl)-(2-methylphenyl)methanone (CID 61316085) is (1-ethylimidazol-2-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (1-ethylimidazol-2-yl)-(2-methylphenyl)methanone is CCn1ccnc1C(=O)c1ccccc1C.
What is the InChIKey of (1-ethylimidazol-2-yl)-(2-methylphenyl)methanone?
The InChIKey is GNWOBMGAOZDUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-15-9-8-14-13(15)12(16)11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3.
What are the key properties of (1-ethylimidazol-2-yl)-(2-methylphenyl)methanone?
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone has a molecular weight of 214.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 61316085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).