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

C13H13ClFN3O — CID 114867921

IUPAC5-amino-4-(5-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(CC2CC2)C1c1cc(Cl)ccc1F
InChIInChI=1S/C13H13ClFN3O/c14-8-3-4-10(15)9(5-8)11-12(16)17-13(19)18(11)6-7-1-2-7/h3-5,7,11H,1-2,6H2,(H2,16,17,19)
InChIKeyXWJYRDIDEYQOJW-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.72
Rot. Bonds3

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

5-amino-4-(5-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one (PubChem CID 114867921) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 5-amino-4-(5-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(5-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
PubChem CID114867921
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name5-amino-4-(5-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(CC2CC2)C1c1cc(Cl)ccc1F
InChIInChI=1S/C13H13ClFN3O/c14-8-3-4-10(15)9(5-8)11-12(16)17-13(19)18(11)6-7-1-2-7/h3-5,7,11H,1-2,6H2,(H2,16,17,19)
InChIKeyXWJYRDIDEYQOJW-UHFFFAOYSA-N
XLogP2.72
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(5-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(5-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one (CID 114867921) is 5-amino-4-(5-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(5-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(5-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one is NC1=NC(=O)N(CC2CC2)C1c1cc(Cl)ccc1F.
What is the InChIKey of 5-amino-4-(5-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one?
The InChIKey is XWJYRDIDEYQOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c14-8-3-4-10(15)9(5-8)11-12(16)17-13(19)18(11)6-7-1-2-7/h3-5,7,11H,1-2,6H2,(H2,16,17,19).
What are the key properties of 5-amino-4-(5-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one?
5-amino-4-(5-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one has a molecular weight of 281.72 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(5-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one is sourced from PubChem (CID 114867921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).