5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one

C13H14ClN3O — CID 79967632

IUPAC5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(CC2CC2)C1c1ccccc1Cl
InChIInChI=1S/C13H14ClN3O/c14-10-4-2-1-3-9(10)11-12(15)16-13(18)17(11)7-8-5-6-8/h1-4,8,11H,5-7H2,(H2,15,16,18)
InChIKeyVHIBQHMPDKUCNV-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.58
Rot. Bonds3

About 5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one

5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one (PubChem CID 79967632) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
PubChem CID79967632
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(CC2CC2)C1c1ccccc1Cl
InChIInChI=1S/C13H14ClN3O/c14-10-4-2-1-3-9(10)11-12(15)16-13(18)17(11)7-8-5-6-8/h1-4,8,11H,5-7H2,(H2,15,16,18)
InChIKeyVHIBQHMPDKUCNV-UHFFFAOYSA-N
XLogP2.58
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-4-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
CID 79968106
5-amino-3-(cyclopropylmethyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one
CID 79985888
5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one
CID 79967171
5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one
CID 79979531
5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one
CID 79967176
5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
CID 113469936
5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one
CID 79973555
5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one
CID 79967643
5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one
CID 79961456
5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one
CID 79961258
2-(5-amino-2-oxo-3-prop-2-ynyl-4H-imidazol-4-yl)benzonitrile
CID 114018084
5-amino-3-ethyl-4-(2-methoxyphenyl)-4H-imidazol-2-one
CID 79967269

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one (CID 79967632) is 5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one is NC1=NC(=O)N(CC2CC2)C1c1ccccc1Cl.
What is the InChIKey of 5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one?
The InChIKey is VHIBQHMPDKUCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-10-4-2-1-3-9(10)11-12(15)16-13(18)17(11)7-8-5-6-8/h1-4,8,11H,5-7H2,(H2,15,16,18).
What are the key properties of 5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one?
5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one has a molecular weight of 263.73 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one is sourced from PubChem (CID 79967632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).