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

C13H14ClN3O — CID 79968106

IUPAC5-amino-4-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(CC2CC2)C1c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3O/c14-10-3-1-2-9(6-10)11-12(15)16-13(18)17(11)7-8-4-5-8/h1-3,6,8,11H,4-5,7H2,(H2,15,16,18)
InChIKeyHYLGNPVEJSZAPV-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.58
Rot. Bonds3

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

5-amino-4-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one (PubChem CID 79968106) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-amino-4-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
PubChem CID79968106
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name5-amino-4-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(CC2CC2)C1c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3O/c14-10-3-1-2-9(6-10)11-12(15)16-13(18)17(11)7-8-4-5-8/h1-3,6,8,11H,4-5,7H2,(H2,15,16,18)
InChIKeyHYLGNPVEJSZAPV-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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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one (CID 79968106) is 5-amino-4-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one is NC1=NC(=O)N(CC2CC2)C1c1cccc(Cl)c1.
What is the InChIKey of 5-amino-4-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one?
The InChIKey is HYLGNPVEJSZAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-10-3-1-2-9(6-10)11-12(15)16-13(18)17(11)7-8-4-5-8/h1-3,6,8,11H,4-5,7H2,(H2,15,16,18).
What are the key properties of 5-amino-4-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one?
5-amino-4-(3-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-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one is sourced from PubChem (CID 79968106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).