2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one

C17H16ClN3OS — CID 59387943

IUPAC2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccc(-c3cccc(Cl)c3)s2)(C2CC2)N=C1N
InChIInChI=1S/C17H16ClN3OS/c1-21-15(22)17(11-5-6-11,20-16(21)19)14-8-7-13(23-14)10-3-2-4-12(18)9-10/h2-4,7-9,11H,5-6H2,1H3,(H2,19,20)
InChIKeyQOULHBMHTFAPHW-UHFFFAOYSA-N
MW345.86 g/mol
LogP3.46
Rot. Bonds3

About 2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one

2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one (PubChem CID 59387943) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is 2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one
PubChem CID59387943
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccc(-c3cccc(Cl)c3)s2)(C2CC2)N=C1N
InChIInChI=1S/C17H16ClN3OS/c1-21-15(22)17(11-5-6-11,20-16(21)19)14-8-7-13(23-14)10-3-2-4-12(18)9-10/h2-4,7-9,11H,5-6H2,1H3,(H2,19,20)
InChIKeyQOULHBMHTFAPHW-UHFFFAOYSA-N
XLogP3.46
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one (CID 59387943) is 2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one is CN1C(=O)C(c2ccc(-c3cccc(Cl)c3)s2)(C2CC2)N=C1N.
What is the InChIKey of 2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one?
The InChIKey is QOULHBMHTFAPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c1-21-15(22)17(11-5-6-11,20-16(21)19)14-8-7-13(23-14)10-3-2-4-12(18)9-10/h2-4,7-9,11H,5-6H2,1H3,(H2,19,20).
What are the key properties of 2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one?
2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one has a molecular weight of 345.86 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one is sourced from PubChem (CID 59387943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).