3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one

C134H189N23O10 — CID 158508642

IUPAC3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccnc4)c3)N=C2N)CC1.CC1(c2cccc(-c3cccnc3)c2)N=C(N)N(CC2CCN(C(=O)COc3ccccc3)CC2)C1=O.CCCCNC(=O)NCc1ccc(CN2C(=O)C(CCC3CCCCC3)(CC3CCCCC3)N=C2N)cc1.CCC[C@H]1CN(Cc2ccc(CN3C(=O)C(CCC4CCCCC4)(CC4CCCCC4)N=C3N)cc2)C(=O)N1.CN1C(=O)[C@@](CCC2CCCCC2)(CC2CCCCC2)N=C1N
InChIInChI=1S/C32H49N5O2.C31H49N5O2.C29H31N5O3.C23H27N5O2.C19H33N3O/c1-2-9-28-23-36(31(39)34-28)21-26-14-16-27(17-15-26)22-37-29(38)32(35-30(37)33,20-25-12-7-4-8-13-25)19-18-24-10-5-3-6-11-24;1-2-3-20-33-30(38)34-22-26-14-16-27(17-15-26)23-36-28(37)31(35-29(36)32,21-25-12-8-5-9-13-25)19-18-24-10-6-4-7-11-24;1-29(24-9-5-7-22(17-24)23-8-6-14-31-18-23)27(36)34(28(30)32-29)19-21-12-15-33(16-13-21)26(35)20-37-25-10-3-2-4-11-25;1-16(29)27-11-8-17(9-12-27)15-28-21(30)23(2,26-22(28)24)20-7-3-5-18(13-20)19-6-4-10-25-14-19;1-22-17(23)19(21-18(22)20,14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h14-17,24-25,28H,2-13,18-23H2,1H3,(H2,33,35)(H,34,39);14-17,24-25H,2-13,18-23H2,1H3,(H2,32,35)(H2,33,34,38);2-11,14,17-18,21H,12-13,15-16,19-20H2,1H3,(H2,30,32);3-7,10,13-14,17H,8-9,11-12,15H2,1-2H3,(H2,24,26);15-16H,2-14H2,1H3,(H2,20,21)/t28-,32?;;;;19-/m0...1/s1
InChIKeyHKTSSMUQSGSRPN-AGJAITJXSA-N
MW2282.14 g/mol
LogP21.78
Rot. Bonds39

About 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one (PubChem CID 158508642) has the molecular formula C134H189N23O10 and a molecular weight of 2282.14 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one
PubChem CID158508642
Molecular FormulaC134H189N23O10
Molecular Weight2282.14 g/mol
Exact Mass2280.50
IUPAC Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccnc4)c3)N=C2N)CC1.CC1(c2cccc(-c3cccnc3)c2)N=C(N)N(CC2CCN(C(=O)COc3ccccc3)CC2)C1=O.CCCCNC(=O)NCc1ccc(CN2C(=O)C(CCC3CCCCC3)(CC3CCCCC3)N=C2N)cc1.CCC[C@H]1CN(Cc2ccc(CN3C(=O)C(CCC4CCCCC4)(CC4CCCCC4)N=C3N)cc2)C(=O)N1.CN1C(=O)[C@@](CCC2CCCCC2)(CC2CCCCC2)N=C1N
InChIInChI=1S/C32H49N5O2.C31H49N5O2.C29H31N5O3.C23H27N5O2.C19H33N3O/c1-2-9-28-23-36(31(39)34-28)21-26-14-16-27(17-15-26)22-37-29(38)32(35-30(37)33,20-25-12-7-4-8-13-25)19-18-24-10-5-3-6-11-24;1-2-3-20-33-30(38)34-22-26-14-16-27(17-15-26)23-36-28(37)31(35-29(36)32,21-25-12-8-5-9-13-25)19-18-24-10-6-4-7-11-24;1-29(24-9-5-7-22(17-24)23-8-6-14-31-18-23)27(36)34(28(30)32-29)19-21-12-15-33(16-13-21)26(35)20-37-25-10-3-2-4-11-25;1-16(29)27-11-8-17(9-12-27)15-28-21(30)23(2,26-22(28)24)20-7-3-5-18(13-20)19-6-4-10-25-14-19;1-22-17(23)19(21-18(22)20,14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h14-17,24-25,28H,2-13,18-23H2,1H3,(H2,33,35)(H,34,39);14-17,24-25H,2-13,18-23H2,1H3,(H2,32,35)(H2,33,34,38);2-11,14,17-18,21H,12-13,15-16,19-20H2,1H3,(H2,30,32);3-7,10,13-14,17H,8-9,11-12,15H2,1-2H3,(H2,24,26);15-16H,2-14H2,1H3,(H2,20,21)/t28-,32?;;;;19-/m0...1/s1
InChIKeyHKTSSMUQSGSRPN-AGJAITJXSA-N
XLogP21.78
TPSA442.55 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds39
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002282.14
LogP ≤ 521.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one (CID 158508642) is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one.
What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one is CC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccnc4)c3)N=C2N)CC1.CC1(c2cccc(-c3cccnc3)c2)N=C(N)N(CC2CCN(C(=O)COc3ccccc3)CC2)C1=O.CCCCNC(=O)NCc1ccc(CN2C(=O)C(CCC3CCCCC3)(CC3CCCCC3)N=C2N)cc1.CCC[C@H]1CN(Cc2ccc(CN3C(=O)C(CCC4CCCCC4)(CC4CCCCC4)N=C3N)cc2)C(=O)N1.CN1C(=O)[C@@](CCC2CCCCC2)(CC2CCCCC2)N=C1N.
What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The InChIKey is HKTSSMUQSGSRPN-AGJAITJXSA-N. The full InChI is InChI=1S/C32H49N5O2.C31H49N5O2.C29H31N5O3.C23H27N5O2.C19H33N3O/c1-2-9-28-23-36(31(39)34-28)21-26-14-16-27(17-15-26)22-37-29(38)32(35-30(37)33,20-25-12-7-4-8-13-25)19-18-24-10-5-3-6-11-24;1-2-3-20-33-30(38)34-22-26-14-16-27(17-15-26)23-36-28(37)31(35-29(36)32,21-25-12-8-5-9-13-25)19-18-24-10-6-4-7-11-24;1-29(24-9-5-7-22(17-24)23-8-6-14-31-18-23)27(36)34(28(30)32-29)19-21-12-15-33(16-13-21)26(35)20-37-25-10-3-2-4-11-25;1-16(29)27-11-8-17(9-12-27)15-28-21(30)23(2,26-22(28)24)20-7-3-5-18(13-20)19-6-4-10-25-14-19;1-22-17(23)19(21-18(22)20,14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h14-17,24-25,28H,2-13,18-23H2,1H3,(H2,33,35)(H,34,39);14-17,24-25H,2-13,18-23H2,1H3,(H2,32,35)(H2,33,34,38);2-11,14,17-18,21H,12-13,15-16,19-20H2,1H3,(H2,30,32);3-7,10,13-14,17H,8-9,11-12,15H2,1-2H3,(H2,24,26);15-16H,2-14H2,1H3,(H2,20,21)/t28-,32?;;;;19-/m0...1/s1.
What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one has a molecular weight of 2282.14 g/mol, XLogP of 21.78, 39 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one;1-[[4-[[2-amino-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-butylurea;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4S)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one;2-amino-5-methyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-(3-pyridin-3-ylphenyl)imidazol-4-one is sourced from PubChem (CID 158508642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).