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

C23H26ClN3O2 — CID 59262347

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one
SMILESCCOCCCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N
InChIInChI=1S/C23H26ClN3O2/c1-2-29-13-5-12-27-21(28)23(18-10-11-18,26-22(27)25)19-8-3-6-16(14-19)17-7-4-9-20(24)15-17/h3-4,6-9,14-15,18H,2,5,10-13H2,1H3,(H2,25,26)
InChIKeyNOMJLWDEMKVEBD-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.20
Rot. Bonds8

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

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one (PubChem CID 59262347) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one
PubChem CID59262347
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one
SMILESCCOCCCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N
InChIInChI=1S/C23H26ClN3O2/c1-2-29-13-5-12-27-21(28)23(18-10-11-18,26-22(27)25)19-8-3-6-16(14-19)17-7-4-9-20(24)15-17/h3-4,6-9,14-15,18H,2,5,10-13H2,1H3,(H2,25,26)
InChIKeyNOMJLWDEMKVEBD-UHFFFAOYSA-N
XLogP4.20
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxypropyl)imidazol-4-one
CID 59262567
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
2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one
CID 59262421
2-amino-5-cyclopropyl-5-[3-(3-hydroxyphenyl)phenyl]-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one
CID 143244703
2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one
CID 59387943
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one;N-[2-[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-cyclopropyl-5-oxoimidazol-1-yl]ethyl]acetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(6-methoxyquinolin-2-yl)amino]cyclohexyl]methyl]-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-phenoxypyridine-3-carboxamide
CID 158358382
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
(5S)-2-amino-5-(3-bromophenyl)-5-cyclopropyl-3-methylimidazol-4-one
CID 70136463
CID 58197719
CID 58197719
2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one
CID 66683613
3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-5-imino-1-(3-methylbutyl)pyrrolidin-2-one
CID 58425378

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one (CID 59262347) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one is CCOCCCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one?
The InChIKey is NOMJLWDEMKVEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-2-29-13-5-12-27-21(28)23(18-10-11-18,26-22(27)25)19-8-3-6-16(14-19)17-7-4-9-20(24)15-17/h3-4,6-9,14-15,18H,2,5,10-13H2,1H3,(H2,25,26).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-ethoxypropyl)imidazol-4-one has a molecular weight of 411.93 g/mol, XLogP of 4.20, 8 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-(3-ethoxypropyl)imidazol-4-one is sourced from PubChem (CID 59262347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).