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

C21H22ClN3O2 — CID 59262567

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCCO
InChIInChI=1S/C21H22ClN3O2/c22-18-7-2-5-15(13-18)14-4-1-6-17(12-14)21(16-8-9-16)19(27)25(10-3-11-26)20(23)24-21/h1-2,4-7,12-13,16,26H,3,8-11H2,(H2,23,24)
InChIKeyWWUHSPKLJCRHQX-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.15
Rot. Bonds6

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

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one (PubChem CID 59262567) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one
PubChem CID59262567
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCCO
InChIInChI=1S/C21H22ClN3O2/c22-18-7-2-5-15(13-18)14-4-1-6-17(12-14)21(16-8-9-16)19(27)25(10-3-11-26)20(23)24-21/h1-2,4-7,12-13,16,26H,3,8-11H2,(H2,23,24)
InChIKeyWWUHSPKLJCRHQX-UHFFFAOYSA-N
XLogP3.15
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one
CID 59262347
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-(oxan-4-yl)imidazol-4-one
CID 59387465
(5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one
CID 59387276
2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one
CID 143244703
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-difluorophenyl)phenyl]-5-methylimidazol-4-one;(5R,6S)-2-amino-5-benzyl-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one
CID 161432350
2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one
CID 59262421
3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile
CID 11624078
2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one
CID 59387943
2-amino-5-cyclopropyl-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-[3-(3-methylphenyl)phenyl]imidazol-4-one
CID 89015355
(5S)-2-amino-5-(3-bromophenyl)-5-cyclopropyl-3-methylimidazol-4-one
CID 70136463
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-(3-hydroxypropyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one (CID 59262567) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one is NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCCO.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one?
The InChIKey is WWUHSPKLJCRHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-18-7-2-5-15(13-18)14-4-1-6-17(12-14)21(16-8-9-16)19(27)25(10-3-11-26)20(23)24-21/h1-2,4-7,12-13,16,26H,3,8-11H2,(H2,23,24).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one has a molecular weight of 383.88 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 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-(3-hydroxypropyl)imidazol-4-one is sourced from PubChem (CID 59262567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).