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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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).