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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one

C69H84ClFN12O4 — CID 159822196

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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one
SMILESCN1C(=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.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CC1CCCCC1
InChIInChI=1S/C25H28ClN3O.C25H36FN5O2.C19H20N4O/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;1-12-8-9-21-16(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);3-5,8-11,14H,6-7H2,1-2H3,(H2,20,22)/t;18-,19+,25+;/m.0./s1
InChIKeyNMJNLQGPHLVYCW-WPXKJEDUSA-N
MW1199.96 g/mol
LogP11.58
Rot. Bonds15

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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one (PubChem CID 159822196) has the molecular formula C69H84ClFN12O4 and a molecular weight of 1199.96 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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one
PubChem CID159822196
Molecular FormulaC69H84ClFN12O4
Molecular Weight1199.96 g/mol
Exact Mass1198.64
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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one
SMILESCN1C(=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.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CC1CCCCC1
InChIInChI=1S/C25H28ClN3O.C25H36FN5O2.C19H20N4O/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;1-12-8-9-21-16(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);3-5,8-11,14H,6-7H2,1-2H3,(H2,20,22)/t;18-,19+,25+;/m.0./s1
InChIKeyNMJNLQGPHLVYCW-WPXKJEDUSA-N
XLogP11.58
TPSA230.95 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001199.96
LogP ≤ 511.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one with MolForge

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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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one (CID 159822196) 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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one is 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.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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one?
The InChIKey is NMJNLQGPHLVYCW-WPXKJEDUSA-N. The full InChI is InChI=1S/C25H28ClN3O.C25H36FN5O2.C19H20N4O/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;1-12-8-9-21-16(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);3-5,8-11,14H,6-7H2,1-2H3,(H2,20,22)/t;18-,19+,25+;/m.0./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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one has a molecular weight of 1199.96 g/mol, XLogP of 11.58, 15 rotatable bonds, 4 hydrogen bond donors, and 12 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;2-amino-5-cyclopropyl-3-methyl-5-[3-(4-methyl-2-pyridinyl)phenyl]imidazol-4-one is sourced from PubChem (CID 159822196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).