2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one

C23H24ClN3O2 — CID 59387465

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1C1CCOCC1
InChIInChI=1S/C23H24ClN3O2/c24-19-6-2-4-16(14-19)15-3-1-5-18(13-15)23(17-7-8-17)21(28)27(22(25)26-23)20-9-11-29-12-10-20/h1-6,13-14,17,20H,7-12H2,(H2,25,26)
InChIKeyVOKQZQGUDKOUBE-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.95
Rot. Bonds4

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one (PubChem CID 59387465) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one
PubChem CID59387465
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1C1CCOCC1
InChIInChI=1S/C23H24ClN3O2/c24-19-6-2-4-16(14-19)15-3-1-5-18(13-15)23(17-7-8-17)21(28)27(22(25)26-23)20-9-11-29-12-10-20/h1-6,13-14,17,20H,7-12H2,(H2,25,26)
InChIKeyVOKQZQGUDKOUBE-UHFFFAOYSA-N
XLogP3.95
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cyclopentyl-5-cyclopropylimidazol-4-one
CID 59388528
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one
CID 59262567
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one
CID 59262347
3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile
CID 86273841
2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one
CID 59262421
2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one
CID 86274555
(5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one
CID 59387276
3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile
CID 11624078
8-cyclohexyl-8-[3-(3,5-dichlorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 24955989
2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one
CID 59387943
2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one
CID 143244703
2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one
CID 66683613

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one (CID 59387465) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one is NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1C1CCOCC1.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one?
The InChIKey is VOKQZQGUDKOUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c24-19-6-2-4-16(14-19)15-3-1-5-18(13-15)23(17-7-8-17)21(28)27(22(25)26-23)20-9-11-29-12-10-20/h1-6,13-14,17,20H,7-12H2,(H2,25,26).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one has a molecular weight of 409.92 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(oxan-4-yl)imidazol-4-one is sourced from PubChem (CID 59387465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).