1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one

C14H15ClN4O — CID 10589625

IUPAC1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
SMILESCc1[nH]cnc1CN1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C14H15ClN4O/c1-10-13(17-9-16-10)8-18-5-6-19(14(18)20)12-4-2-3-11(15)7-12/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)
InChIKeyKTWMENHPJOHXBN-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.81
Rot. Bonds3

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

1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one (PubChem CID 10589625) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
PubChem CID10589625
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
SMILESCc1[nH]cnc1CN1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C14H15ClN4O/c1-10-13(17-9-16-10)8-18-5-6-19(14(18)20)12-4-2-3-11(15)7-12/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)
InChIKeyKTWMENHPJOHXBN-UHFFFAOYSA-N
XLogP2.81
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one (CID 10589625) is 1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one is Cc1[nH]cnc1CN1CCN(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one?
The InChIKey is KTWMENHPJOHXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-10-13(17-9-16-10)8-18-5-6-19(14(18)20)12-4-2-3-11(15)7-12/h2-4,7,9H,5-6,8H2,1H3,(H,16,17).
What are the key properties of 1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one?
1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one has a molecular weight of 290.75 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 10589625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).