2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea

C71H78Cl2N12O4 — CID 159574751

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea
SMILESCC(C)C1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C)C1=O.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](NC(=O)NCc3ccccc3)C2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1ccccn1
InChIInChI=1S/C27H35N5O2.C25H23ClN4O.C19H20ClN3O/c1-32-24(33)27(31-25(32)28,16-15-20-9-4-2-5-10-20)18-22-13-8-14-23(17-22)30-26(34)29-19-21-11-6-3-7-12-21;26-21-8-4-6-18(16-21)17-5-3-7-20(15-17)25(19-10-11-19)23(31)30(24(27)29-25)14-12-22-9-1-2-13-28-22;1-12(2)19(17(24)23(3)18(21)22-19)15-8-4-6-13(10-15)14-7-5-9-16(20)11-14/h2-7,9-12,22-23H,8,13-19H2,1H3,(H2,28,31)(H2,29,30,34);1-9,13,15-16,19H,10-12,14H2,(H2,27,29);4-12H,1-3H3,(H2,21,22)/t22-,23+,27+;;/m0../s1
InChIKeyMIGKRGRAJQNEJU-RZJCXWLISA-N
MW1234.39 g/mol
LogP11.64
Rot. Bonds17

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea (PubChem CID 159574751) has the molecular formula C71H78Cl2N12O4 and a molecular weight of 1234.39 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea
PubChem CID159574751
Molecular FormulaC71H78Cl2N12O4
Molecular Weight1234.39 g/mol
Exact Mass1232.56
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea
SMILESCC(C)C1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C)C1=O.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](NC(=O)NCc3ccccc3)C2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1ccccn1
InChIInChI=1S/C27H35N5O2.C25H23ClN4O.C19H20ClN3O/c1-32-24(33)27(31-25(32)28,16-15-20-9-4-2-5-10-20)18-22-13-8-14-23(17-22)30-26(34)29-19-21-11-6-3-7-12-21;26-21-8-4-6-18(16-21)17-5-3-7-20(15-17)25(19-10-11-19)23(31)30(24(27)29-25)14-12-22-9-1-2-13-28-22;1-12(2)19(17(24)23(3)18(21)22-19)15-8-4-6-13(10-15)14-7-5-9-16(20)11-14/h2-7,9-12,22-23H,8,13-19H2,1H3,(H2,28,31)(H2,29,30,34);1-9,13,15-16,19H,10-12,14H2,(H2,27,29);4-12H,1-3H3,(H2,21,22)/t22-,23+,27+;;/m0../s1
InChIKeyMIGKRGRAJQNEJU-RZJCXWLISA-N
XLogP11.64
TPSA230.09 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001234.39
LogP ≤ 511.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea with MolForge

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Related Compounds

2-Amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one
CID 59262346
2-Amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one
CID 59262424
2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one;5-(3,5-dichlorophenyl)-3-methyl-2-(3-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 158504811
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one
CID 11633072
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one
CID 11697688
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(1-methylpyrrol-2-yl)methyl]imidazol-4-one
CID 11711433
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one
CID 59262337
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one
CID 59262502
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one
CID 59262533
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one
CID 59387173
1-[[2-[3-(2-Amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-pyridin-3-ylurea
CID 59387524
2-Amino-3-[[3-(2-chloro-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 59387962

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea (CID 159574751) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea is CC(C)C1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C)C1=O.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](NC(=O)NCc3ccccc3)C2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1ccccn1.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea?
The InChIKey is MIGKRGRAJQNEJU-RZJCXWLISA-N. The full InChI is InChI=1S/C27H35N5O2.C25H23ClN4O.C19H20ClN3O/c1-32-24(33)27(31-25(32)28,16-15-20-9-4-2-5-10-20)18-22-13-8-14-23(17-22)30-26(34)29-19-21-11-6-3-7-12-21;26-21-8-4-6-18(16-21)17-5-3-7-20(15-17)25(19-10-11-19)23(31)30(24(27)29-25)14-12-22-9-1-2-13-28-22;1-12(2)19(17(24)23(3)18(21)22-19)15-8-4-6-13(10-15)14-7-5-9-16(20)11-14/h2-7,9-12,22-23H,8,13-19H2,1H3,(H2,28,31)(H2,29,30,34);1-9,13,15-16,19H,10-12,14H2,(H2,27,29);4-12H,1-3H3,(H2,21,22)/t22-,23+,27+;;/m0../s1.
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea has a molecular weight of 1234.39 g/mol, XLogP of 11.64, 17 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-3-benzylurea is sourced from PubChem (CID 159574751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).