2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one

C113H140ClF2N21O7 — CID 161285429

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(F)nc3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccncc3F)C2)N=C1N.Cc1ccnc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1.Cc1cncc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CC1CCCCC1
InChIInChI=1S/C25H28ClN3O.2C25H36FN5O2.2C19H20N4O/c26-22-11-5-9-19(15-22)18-8-4-10-21(14-18)25(20-12-13-20)23(30)29(24(27)28-25)16-17-6-2-1-3-7-17;1-31-23(33)25(30-24(31)27,12-10-17-6-3-2-4-7-17)15-18-8-5-9-19(14-18)29-22(32)20-11-13-28-16-21(20)26;1-31-23(33)25(30-24(31)27,13-12-17-6-3-2-4-7-17)15-18-8-5-9-20(14-18)29-22(32)19-10-11-21(26)28-16-19;1-12-8-14(11-21-10-12)13-4-3-5-16(9-13)19(15-6-7-15)17(24)23(2)18(20)22-19;1-12-8-9-21-16(10-12)13-4-3-5-15(11-13)19(14-6-7-14)17(24)23(2)18(20)22-19/h4-5,8-11,14-15,17,20H,1-3,6-7,12-13,16H2,(H2,27,28);11,13,16-19H,2-10,12,14-15H2,1H3,(H2,27,30)(H,29,32);10-11,16-18,20H,2-9,12-15H2,1H3,(H2,27,30)(H,29,32);3-5,8-11,15H,6-7H2,1-2H3,(H2,20,22);3-5,8-11,14H,6-7H2,1-2H3,(H2,20,22)/t;18-,19+,25+;18-,20+,25+;;/m.00../s1
InChIKeyVFQOWOAXCCCOKV-OOBRWGITSA-N
MW1977.95 g/mol
LogP17.82
Rot. Bonds25

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one (PubChem CID 161285429) has the molecular formula C113H140ClF2N21O7 and a molecular weight of 1977.95 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one
PubChem CID161285429
Molecular FormulaC113H140ClF2N21O7
Molecular Weight1977.95 g/mol
Exact Mass1976.09
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(F)nc3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccncc3F)C2)N=C1N.Cc1ccnc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1.Cc1cncc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CC1CCCCC1
InChIInChI=1S/C25H28ClN3O.2C25H36FN5O2.2C19H20N4O/c26-22-11-5-9-19(15-22)18-8-4-10-21(14-18)25(20-12-13-20)23(30)29(24(27)28-25)16-17-6-2-1-3-7-17;1-31-23(33)25(30-24(31)27,12-10-17-6-3-2-4-7-17)15-18-8-5-9-19(14-18)29-22(32)20-11-13-28-16-21(20)26;1-31-23(33)25(30-24(31)27,13-12-17-6-3-2-4-7-17)15-18-8-5-9-20(14-18)29-22(32)19-10-11-21(26)28-16-19;1-12-8-14(11-21-10-12)13-4-3-5-16(9-13)19(15-6-7-15)17(24)23(2)18(20)22-19;1-12-8-9-21-16(10-12)13-4-3-5-15(11-13)19(14-6-7-14)17(24)23(2)18(20)22-19/h4-5,8-11,14-15,17,20H,1-3,6-7,12-13,16H2,(H2,27,28);11,13,16-19H,2-10,12,14-15H2,1H3,(H2,27,30)(H,29,32);10-11,16-18,20H,2-9,12-15H2,1H3,(H2,27,30)(H,29,32);3-5,8-11,15H,6-7H2,1-2H3,(H2,20,22);3-5,8-11,14H,6-7H2,1-2H3,(H2,20,22)/t;18-,19+,25+;18-,20+,25+;;/m.00../s1
InChIKeyVFQOWOAXCCCOKV-OOBRWGITSA-N
XLogP17.82
TPSA403.21 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001977.95
LogP ≤ 517.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one (CID 161285429) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one is CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(F)nc3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccncc3F)C2)N=C1N.Cc1ccnc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1.Cc1cncc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CC1CCCCC1.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one?
The InChIKey is VFQOWOAXCCCOKV-OOBRWGITSA-N. The full InChI is InChI=1S/C25H28ClN3O.2C25H36FN5O2.2C19H20N4O/c26-22-11-5-9-19(15-22)18-8-4-10-21(14-18)25(20-12-13-20)23(30)29(24(27)28-25)16-17-6-2-1-3-7-17;1-31-23(33)25(30-24(31)27,12-10-17-6-3-2-4-7-17)15-18-8-5-9-19(14-18)29-22(32)20-11-13-28-16-21(20)26;1-31-23(33)25(30-24(31)27,13-12-17-6-3-2-4-7-17)15-18-8-5-9-20(14-18)29-22(32)19-10-11-21(26)28-16-19;1-12-8-14(11-21-10-12)13-4-3-5-16(9-13)19(15-6-7-15)17(24)23(2)18(20)22-19;1-12-8-9-21-16(10-12)13-4-3-5-15(11-13)19(14-6-7-14)17(24)23(2)18(20)22-19/h4-5,8-11,14-15,17,20H,1-3,6-7,12-13,16H2,(H2,27,28);11,13,16-19H,2-10,12,14-15H2,1H3,(H2,27,30)(H,29,32);10-11,16-18,20H,2-9,12-15H2,1H3,(H2,27,30)(H,29,32);3-5,8-11,15H,6-7H2,1-2H3,(H2,20,22);3-5,8-11,14H,6-7H2,1-2H3,(H2,20,22)/t;18-,19+,25+;18-,20+,25+;;/m.00../s1.
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one has a molecular weight of 1977.95 g/mol, XLogP of 17.82, 25 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-(cyclohexylmethyl)-5-cyclopropylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-fluoropyridine-4-carboxamide;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-fluoropyridine-3-carboxamide;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one is sourced from PubChem (CID 161285429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).