2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one

C12H13ClN2O — CID 106952576

IUPAC2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(Cc2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C12H13ClN2O/c1-2-10-12(16)15-11(14-10)7-8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3,(H,14,15,16)
InChIKeyXWQXSWZVGHAPLA-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.19
Rot. Bonds3

About 2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one

2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one (PubChem CID 106952576) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one
PubChem CID106952576
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(Cc2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C12H13ClN2O/c1-2-10-12(16)15-11(14-10)7-8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3,(H,14,15,16)
InChIKeyXWQXSWZVGHAPLA-UHFFFAOYSA-N
XLogP2.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

US8829000, Referential Example 1
CID 91668577
2-(4-Chlorophenyl)methylimidazoline
CID 6624333
CID 172445357
CID 172445357
5-Amino-2-(4-chlorobenzyl)-6-hydroxypyrimidine
CID 20276641
2-((4-Chlorophenyl)methyl)-4(3H)-pyrimidinone
CID 13619897
(5S)-2-[(4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazol-3-ium-5-carboxylate
CID 25181272
(4Z)-4-[(4-chlorophenyl)methylidene]-2-propyl-1H-imidazol-5-one
CID 135934939
5-amino-2-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrimidine-4,6-dione
CID 82171081
2-[(2-Chloro-4-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one
CID 106951779
2-[(3-Chloro-2-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one
CID 106951921
2-[(2-Chloro-6-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one
CID 106951981
2-[(3-Fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952004

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one (CID 106952576) is 2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one is CCC1N=C(Cc2ccc(Cl)cc2)NC1=O.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one?
The InChIKey is XWQXSWZVGHAPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-10-12(16)15-11(14-10)7-8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3,(H,14,15,16).
What are the key properties of 2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one?
2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one has a molecular weight of 236.70 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).