1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one

C16H19ClN4O — CID 19933175

IUPAC1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one
SMILESCCn1cnc(C)c1CN1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C16H19ClN4O/c1-3-19-11-18-12(2)15(19)10-20-7-8-21(16(20)22)14-6-4-5-13(17)9-14/h4-6,9,11H,3,7-8,10H2,1-2H3
InChIKeyHVUWLMFSIPQTBO-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.31
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one

1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one (PubChem CID 19933175) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one
PubChem CID19933175
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one
SMILESCCn1cnc(C)c1CN1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C16H19ClN4O/c1-3-19-11-18-12(2)15(19)10-20-7-8-21(16(20)22)14-6-4-5-13(17)9-14/h4-6,9,11H,3,7-8,10H2,1-2H3
InChIKeyHVUWLMFSIPQTBO-UHFFFAOYSA-N
XLogP3.31
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 9840258
1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10589625
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
CID 10563032
1-[(1,5-Dimethylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
CID 10612110
1-(2-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10613497
1-(4-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10851096
N-(4-chlorophenyl)-N'-[3-(1H-imidazol-1-yl)propyl]urea
CID 2804810
1-(3-Chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 2932800
1-[(1-Ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
CID 10565004
1-Ethyl-4-methyl-5-(2-oxo-3-phenyl-imidazolidin-1-ylmethyl)-3H-imidazol-1-ium
CID 44341917
1,4-Dimethyl-5-(2-oxo-3-phenyl-imidazolidin-1-ylmethyl)-3H-imidazol-1-ium
CID 44342088
US9981950, Example 42
CID 118870081

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one (CID 19933175) is 1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one is CCn1cnc(C)c1CN1CCN(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one?
The InChIKey is HVUWLMFSIPQTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-3-19-11-18-12(2)15(19)10-20-7-8-21(16(20)22)14-6-4-5-13(17)9-14/h4-6,9,11H,3,7-8,10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one?
1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one has a molecular weight of 318.81 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 19933175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).