2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide

C72H71BrClN11O4 — CID 159574310

IUPAC2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide
SMILESCC(C)CCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cncc(Br)c3)c2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C28H28N4O2.C23H26ClN3O.C21H17BrN4O/c29-27-31-28(22-12-3-1-4-13-22,23-14-5-2-6-15-23)26(34)32(27)19-20-10-9-11-21(18-20)25(33)30-24-16-7-8-17-24;1-15(2)11-12-27-21(28)23(18-9-10-18,26-22(27)25)19-7-3-5-16(13-19)17-6-4-8-20(24)14-17;1-26-19(27)21(25-20(26)23,16-7-3-2-4-8-16)17-9-5-6-14(10-17)15-11-18(22)13-24-12-15/h1-6,9-15,18,24H,7-8,16-17,19H2,(H2,29,31)(H,30,33);3-8,13-15,18H,9-12H2,1-2H3,(H2,25,26);2-13H,1H3,(H2,23,25)
InChIKeyMIFAQGCNJCRUAE-UHFFFAOYSA-N
MW1269.79 g/mol
LogP12.32
Rot. Bonds15

About 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide

2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide (PubChem CID 159574310) has the molecular formula C72H71BrClN11O4 and a molecular weight of 1269.79 g/mol. Its IUPAC name is 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide
PubChem CID159574310
Molecular FormulaC72H71BrClN11O4
Molecular Weight1269.79 g/mol
Exact Mass1267.46
IUPAC Name2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide
SMILESCC(C)CCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cncc(Br)c3)c2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C28H28N4O2.C23H26ClN3O.C21H17BrN4O/c29-27-31-28(22-12-3-1-4-13-22,23-14-5-2-6-15-23)26(34)32(27)19-20-10-9-11-21(18-20)25(33)30-24-16-7-8-17-24;1-15(2)11-12-27-21(28)23(18-9-10-18,26-22(27)25)19-7-3-5-16(13-19)17-6-4-8-20(24)14-17;1-26-19(27)21(25-20(26)23,16-7-3-2-4-8-16)17-9-5-6-14(10-17)15-11-18(22)13-24-12-15/h1-6,9-15,18,24H,7-8,16-17,19H2,(H2,29,31)(H,30,33);3-8,13-15,18H,9-12H2,1-2H3,(H2,25,26);2-13H,1H3,(H2,23,25)
InChIKeyMIFAQGCNJCRUAE-UHFFFAOYSA-N
XLogP12.32
TPSA218.06 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001269.79
LogP ≤ 512.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide?
The IUPAC name of 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide (CID 159574310) is 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide.
What is the SMILES notation for 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide?
The canonical SMILES for 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide is CC(C)CCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cncc(Br)c3)c2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NC2CCCC2)c1.
What is the InChIKey of 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide?
The InChIKey is MIFAQGCNJCRUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2.C23H26ClN3O.C21H17BrN4O/c29-27-31-28(22-12-3-1-4-13-22,23-14-5-2-6-15-23)26(34)32(27)19-20-10-9-11-21(18-20)25(33)30-24-16-7-8-17-24;1-15(2)11-12-27-21(28)23(18-9-10-18,26-22(27)25)19-7-3-5-16(13-19)17-6-4-8-20(24)14-17;1-26-19(27)21(25-20(26)23,16-7-3-2-4-8-16)17-9-5-6-14(10-17)15-11-18(22)13-24-12-15/h1-6,9-15,18,24H,7-8,16-17,19H2,(H2,29,31)(H,30,33);3-8,13-15,18H,9-12H2,1-2H3,(H2,25,26);2-13H,1H3,(H2,23,25).
What are the key properties of 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide?
2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide has a molecular weight of 1269.79 g/mol, XLogP of 12.32, 15 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3-methylbutyl)imidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclopentylbenzamide is sourced from PubChem (CID 159574310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).