2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one

C75H89ClN12O7 — CID 159969630

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
SMILESCC(O)CCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccncc3)C2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)N2CCC[C@H]2CO)c1
InChIInChI=1S/C28H28N4O3.C25H37N5O2.C22H24ClN3O2/c29-27-30-28(22-11-3-1-4-12-22,23-13-5-2-6-14-23)26(35)32(27)18-20-9-7-10-21(17-20)25(34)31-16-8-15-24(31)19-33;1-30-23(32)25(29-24(30)26,13-10-18-6-3-2-4-7-18)17-19-8-5-9-21(16-19)28-22(31)20-11-14-27-15-12-20;1-14(27)10-11-26-20(28)22(17-8-9-17,25-21(26)24)18-6-2-4-15(12-18)16-5-3-7-19(23)13-16/h1-7,9-14,17,24,33H,8,15-16,18-19H2,(H2,29,30);11-12,14-15,18-19,21H,2-10,13,16-17H2,1H3,(H2,26,29)(H,28,31);2-7,12-14,17,27H,8-11H2,1H3,(H2,24,25)/t24-;19-,21+,25+;/m00./s1
InChIKeyOEJKLAJWZJOZJF-POLZNREKSA-N
MW1306.07 g/mol
LogP10.07
Rot. Bonds19

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one (PubChem CID 159969630) has the molecular formula C75H89ClN12O7 and a molecular weight of 1306.07 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
PubChem CID159969630
Molecular FormulaC75H89ClN12O7
Molecular Weight1306.07 g/mol
Exact Mass1304.67
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
SMILESCC(O)CCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccncc3)C2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)N2CCC[C@H]2CO)c1
InChIInChI=1S/C28H28N4O3.C25H37N5O2.C22H24ClN3O2/c29-27-30-28(22-11-3-1-4-12-22,23-13-5-2-6-14-23)26(35)32(27)18-20-9-7-10-21(17-20)25(34)31-16-8-15-24(31)19-33;1-30-23(32)25(29-24(30)26,13-10-18-6-3-2-4-7-18)17-19-8-5-9-21(16-19)28-22(31)20-11-14-27-15-12-20;1-14(27)10-11-26-20(28)22(17-8-9-17,25-21(26)24)18-6-2-4-15(12-18)16-5-3-7-19(23)13-16/h1-7,9-14,17,24,33H,8,15-16,18-19H2,(H2,29,30);11-12,14-15,18-19,21H,2-10,13,16-17H2,1H3,(H2,26,29)(H,28,31);2-7,12-14,17,27H,8-11H2,1H3,(H2,24,25)/t24-;19-,21+,25+;/m00./s1
InChIKeyOEJKLAJWZJOZJF-POLZNREKSA-N
XLogP10.07
TPSA278.83 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001306.07
LogP ≤ 510.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one (CID 159969630) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one is CC(O)CCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccncc3)C2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)N2CCC[C@H]2CO)c1.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one?
The InChIKey is OEJKLAJWZJOZJF-POLZNREKSA-N. The full InChI is InChI=1S/C28H28N4O3.C25H37N5O2.C22H24ClN3O2/c29-27-30-28(22-11-3-1-4-12-22,23-13-5-2-6-14-23)26(35)32(27)18-20-9-7-10-21(17-20)25(34)31-16-8-15-24(31)19-33;1-30-23(32)25(29-24(30)26,13-10-18-6-3-2-4-7-18)17-19-8-5-9-21(16-19)28-22(31)20-11-14-27-15-12-20;1-14(27)10-11-26-20(28)22(17-8-9-17,25-21(26)24)18-6-2-4-15(12-18)16-5-3-7-19(23)13-16/h1-7,9-14,17,24,33H,8,15-16,18-19H2,(H2,29,30);11-12,14-15,18-19,21H,2-10,13,16-17H2,1H3,(H2,26,29)(H,28,31);2-7,12-14,17,27H,8-11H2,1H3,(H2,24,25)/t24-;19-,21+,25+;/m00./s1.
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one has a molecular weight of 1306.07 g/mol, XLogP of 10.07, 19 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-hydroxybutyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide;2-amino-3-[[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 159969630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).