1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one

C12H13ClN2O — CID 116624300

IUPAC1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C12H13ClN2O/c1-2-14-7-8-15(12(14)16)9-10-5-3-4-6-11(10)13/h3-8H,2,9H2,1H3
InChIKeyDCYRIVUYXLRIEQ-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.37
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one

1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one (PubChem CID 116624300) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one
PubChem CID116624300
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C12H13ClN2O/c1-2-14-7-8-15(12(14)16)9-10-5-3-4-6-11(10)13/h3-8H,2,9H2,1H3
InChIKeyDCYRIVUYXLRIEQ-UHFFFAOYSA-N
XLogP2.37
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]benzenecarbothioamide
CID 80581181
1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one
CID 80583349
(E)-3-[2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]phenyl]prop-2-enoic acid
CID 80583194
1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one
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1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624763
1-[(6-chloro-2-pyridinyl)methyl]-3-ethylimidazol-2-one
CID 80581694
1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946288
N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62136767
1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole
CID 94696998
1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one
CID 714064
4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one
CID 63276803
1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one
CID 116624451

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one (CID 116624300) is 1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one is CCn1ccn(Cc2ccccc2Cl)c1=O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one?
The InChIKey is DCYRIVUYXLRIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-14-7-8-15(12(14)16)9-10-5-3-4-6-11(10)13/h3-8H,2,9H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one?
1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one has a molecular weight of 236.70 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one is sourced from PubChem (CID 116624300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).