2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one

C103H111BrClFN16O7S2 — CID 161224564

IUPAC2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one
SMILESCC(=O)C[C@@H]1CCC[C@H](C[C@@]2(CCc3ccccc3)N=C(N)N(C)C2=O)C1.CN1C(=O)C(c2cc(-c3ccc4[nH]ccc4c3)cs2)(C2CC2)N=C1N.CN1NC(N)=NC1(C)c1cc(Br)cs1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(CC(=O)c2ccccc2F)c1.[H]/N=C1\CC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1[C@@H](CO)C(C)C
InChIInChI=1S/C30H24FN3O2.C24H27ClN2O2.C22H31N3O2.C19H18N4OS.C8H11BrN4S/c31-26-17-8-7-16-25(26)27(35)19-21-10-9-11-22(18-21)20-34-28(36)30(33-29(34)32,23-12-3-1-4-13-23)24-14-5-2-6-15-24;1-15(2)21(14-28)27-22(26)13-24(23(27)29,18-9-10-18)19-7-3-5-16(11-19)17-6-4-8-20(25)12-17;1-16(26)13-18-9-6-10-19(14-18)15-22(20(27)25(2)21(23)24-22)12-11-17-7-4-3-5-8-17;1-23-17(24)19(14-3-4-14,22-18(23)20)16-9-13(10-25-16)11-2-5-15-12(8-11)6-7-21-15;1-8(6-3-5(9)4-14-6)11-7(10)12-13(8)2/h1-18H,19-20H2,(H2,32,33);3-8,11-12,15,18,21,26,28H,9-10,13-14H2,1-2H3;3-5,7-8,18-19H,6,9-15H2,1-2H3,(H2,23,24);2,5-10,14,21H,3-4H2,1H3,(H2,20,22);3-4H,1-2H3,(H3,10,11,12)/b;26-22+;;;/t;21-,24?;18-,19-,22+;;/m.00../s1
InChIKeyUXYJCBSRRCPOLM-ABEWTIRISA-N
MW1883.61 g/mol
LogP17.79
Rot. Bonds24

About 2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one

2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one (PubChem CID 161224564) has the molecular formula C103H111BrClFN16O7S2 and a molecular weight of 1883.61 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one
PubChem CID161224564
Molecular FormulaC103H111BrClFN16O7S2
Molecular Weight1883.61 g/mol
Exact Mass1880.71
IUPAC Name2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one
SMILESCC(=O)C[C@@H]1CCC[C@H](C[C@@]2(CCc3ccccc3)N=C(N)N(C)C2=O)C1.CN1C(=O)C(c2cc(-c3ccc4[nH]ccc4c3)cs2)(C2CC2)N=C1N.CN1NC(N)=NC1(C)c1cc(Br)cs1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(CC(=O)c2ccccc2F)c1.[H]/N=C1\CC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1[C@@H](CO)C(C)C
InChIInChI=1S/C30H24FN3O2.C24H27ClN2O2.C22H31N3O2.C19H18N4OS.C8H11BrN4S/c31-26-17-8-7-16-25(26)27(35)19-21-10-9-11-22(18-21)20-34-28(36)30(33-29(34)32,23-12-3-1-4-13-23)24-14-5-2-6-15-24;1-15(2)21(14-28)27-22(26)13-24(23(27)29,18-9-10-18)19-7-3-5-16(11-19)17-6-4-8-20(25)12-17;1-16(26)13-18-9-6-10-19(14-18)15-22(20(27)25(2)21(23)24-22)12-11-17-7-4-3-5-8-17;1-23-17(24)19(14-3-4-14,22-18(23)20)16-9-13(10-25-16)11-2-5-15-12(8-11)6-7-21-15;1-8(6-3-5(9)4-14-6)11-7(10)12-13(8)2/h1-18H,19-20H2,(H2,32,33);3-8,11-12,15,18,21,26,28H,9-10,13-14H2,1-2H3;3-5,7-8,18-19H,6,9-15H2,1-2H3,(H2,23,24);2,5-10,14,21H,3-4H2,1H3,(H2,20,22);3-4H,1-2H3,(H3,10,11,12)/b;26-22+;;;/t;21-,24?;18-,19-,22+;;/m.00../s1
InChIKeyUXYJCBSRRCPOLM-ABEWTIRISA-N
XLogP17.79
TPSA344.04 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001883.61
LogP ≤ 517.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one with MolForge

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Related Compounds

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(1-hydroxy-3-methylbutan-2-yl)imidazol-4-one;2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-propyl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-propyl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
CID 158322567

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one?
The IUPAC name of 2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one (CID 161224564) is 2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one.
What is the SMILES notation for 2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one?
The canonical SMILES for 2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one is CC(=O)C[C@@H]1CCC[C@H](C[C@@]2(CCc3ccccc3)N=C(N)N(C)C2=O)C1.CN1C(=O)C(c2cc(-c3ccc4[nH]ccc4c3)cs2)(C2CC2)N=C1N.CN1NC(N)=NC1(C)c1cc(Br)cs1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(CC(=O)c2ccccc2F)c1.[H]/N=C1\CC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1[C@@H](CO)C(C)C.
What is the InChIKey of 2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one?
The InChIKey is UXYJCBSRRCPOLM-ABEWTIRISA-N. The full InChI is InChI=1S/C30H24FN3O2.C24H27ClN2O2.C22H31N3O2.C19H18N4OS.C8H11BrN4S/c31-26-17-8-7-16-25(26)27(35)19-21-10-9-11-22(18-21)20-34-28(36)30(33-29(34)32,23-12-3-1-4-13-23)24-14-5-2-6-15-24;1-15(2)21(14-28)27-22(26)13-24(23(27)29,18-9-10-18)19-7-3-5-16(11-19)17-6-4-8-20(25)12-17;1-16(26)13-18-9-6-10-19(14-18)15-22(20(27)25(2)21(23)24-22)12-11-17-7-4-3-5-8-17;1-23-17(24)19(14-3-4-14,22-18(23)20)16-9-13(10-25-16)11-2-5-15-12(8-11)6-7-21-15;1-8(6-3-5(9)4-14-6)11-7(10)12-13(8)2/h1-18H,19-20H2,(H2,32,33);3-8,11-12,15,18,21,26,28H,9-10,13-14H2,1-2H3;3-5,7-8,18-19H,6,9-15H2,1-2H3,(H2,23,24);2,5-10,14,21H,3-4H2,1H3,(H2,20,22);3-4H,1-2H3,(H3,10,11,12)/b;26-22+;;;/t;21-,24?;18-,19-,22+;;/m.00../s1.
What are the key properties of 2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one?
2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one has a molecular weight of 1883.61 g/mol, XLogP of 17.79, 24 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;2-amino-3-[[3-[2-(2-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxopropyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;3-(4-bromothiophen-2-yl)-2,3-dimethyl-1H-1,2,4-triazol-5-amine;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-iminopyrrolidin-2-one is sourced from PubChem (CID 161224564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).