2-amino-3-(1-benzylpiperidin-4-yl)-5,5-diphenylimidazol-4-one;2-amino-3-[4-(dimethylamino)butyl]-5,5-diphenylimidazol-4-one;5-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]pyridine-3-carbonitrile;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one;2-amino-5-[3-(5-fluoro-6-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one

C100H104F2N20O7 — CID 158334616

About 2-amino-3-(1-benzylpiperidin-4-yl)-5,5-diphenylimidazol-4-one;2-amino-3-[4-(dimethylamino)butyl]-5,5-diphenylimidazol-4-one;5-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]pyridine-3-carbonitrile;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one;2-amino-5-[3-(5-fluoro-6-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one

2-amino-3-(1-benzylpiperidin-4-yl)-5,5-diphenylimidazol-4-one;2-amino-3-[4-(dimethylamino)butyl]-5,5-diphenylimidazol-4-one;5-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]pyridine-3-carbonitrile;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one;2-amino-5-[3-(5-fluoro-6-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one (PubChem CID 158334616) has the molecular formula C100H104F2N20O7 and a molecular weight of 1736.06 g/mol. Its IUPAC name is 2-amino-3-(1-benzylpiperidin-4-yl)-5,5-diphenylimidazol-4-one;2-amino-3-[4-(dimethylamino)butyl]-5,5-diphenylimidazol-4-one;5-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]pyridine-3-carbonitrile;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one;2-amino-5-[3-(5-fluoro-6-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one.

Molecular Properties

• Compound Name: 2-amino-3-(1-benzylpiperidin-4-yl)-5,5-diphenylimidazol-4-one;2-amino-3-[4-(dimethylamino)butyl]-5,5-diphenylimidazol-4-one;5-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]pyridine-3-carbonitrile;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one;2-amino-5-[3-(5-fluoro-6-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one
• PubChem CID: 158334616
• Molecular Formula: C100H104F2N20O7
• Molecular Weight: 1736.06 g/mol
• Exact Mass: 1734.84
• IUPAC Name: 2-amino-3-(1-benzylpiperidin-4-yl)-5,5-diphenylimidazol-4-one;2-amino-3-[4-(dimethylamino)butyl]-5,5-diphenylimidazol-4-one;5-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]pyridine-3-carbonitrile;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one;2-amino-5-[3-(5-fluoro-6-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one
• SMILES: CN(C)CCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.CN1C(=O)C(C)(c2cccc(-c3cncc(C#N)c3)c2)N=C1N.COc1cccc(-c2cc(C3(C)N=C(N)N(C)C3=O)ccc2F)c1.COc1ncc(-c2cccc(C3(C)N=C(N)N(C)C3=O)c2)cc1F.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCN(Cc2ccccc2)CC1
• InChI: InChI=1S/C27H28N4O.C21H26N4O.C18H18FN3O2.C17H17FN4O2.C17H15N5O/c28-26-29-27(22-12-6-2-7-13-22,23-14-8-3-9-15-23)25(32)31(26)24-16-18-30(19-17-24)20-21-10-4-1-5-11-21;1-24(2)15-9-10-16-25-19(26)21(23-20(25)22,17-11-5-3-6-12-17)18-13-7-4-8-14-18;1-18(16(23)22(2)17(20)21-18)12-7-8-15(19)14(10-12)11-5-4-6-13(9-11)24-3;1-17(15(23)22(2)16(19)21-17)12-6-4-5-10(7-12)11-8-13(18)14(24-3)20-9-11;1-17(15(23)22(2)16(19)21-17)14-5-3-4-12(7-14)13-6-11(8-18)9-20-10-13/h1-15,24H,16-20H2,(H2,28,29);3-8,11-14H,9-10,15-16H2,1-2H3,(H2,22,23);4-10H,1-3H3,(H2,20,21);4-9H,1-3H3,(H2,19,21);3-7,9-10H,1-2H3,(H2,19,21)
• InChIKey: GQKTXKODJGMUPA-UHFFFAOYSA-N
• XLogP: 12.20
• TPSA: 367.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1736.06
LogP ≤ 5	12.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-benzylpiperidin-4-yl)-5,5-diphenylimidazol-4-one;2-amino-3-[4-(dimethylamino)butyl]-5,5-diphenylimidazol-4-one;5-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]pyridine-3-carbonitrile;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one;2-amino-5-[3-(5-fluoro-6-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one?

The IUPAC name of 2-amino-3-(1-benzylpiperidin-4-yl)-5,5-diphenylimidazol-4-one;2-amino-3-[4-(dimethylamino)butyl]-5,5-diphenylimidazol-4-one;5-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]pyridine-3-carbonitrile;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one;2-amino-5-[3-(5-fluoro-6-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one (CID 158334616) is 2-amino-3-(1-benzylpiperidin-4-yl)-5,5-diphenylimidazol-4-one;2-amino-3-[4-(dimethylamino)butyl]-5,5-diphenylimidazol-4-one;5-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]pyridine-3-carbonitrile;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one;2-amino-5-[3-(5-fluoro-6-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one.

What is the SMILES notation for 2-amino-3-(1-benzylpiperidin-4-yl)-5,5-diphenylimidazol-4-one;2-amino-3-[4-(dimethylamino)butyl]-5,5-diphenylimidazol-4-one;5-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]pyridine-3-carbonitrile;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one;2-amino-5-[3-(5-fluoro-6-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one?

The canonical SMILES for 2-amino-3-(1-benzylpiperidin-4-yl)-5,5-diphenylimidazol-4-one;2-amino-3-[4-(dimethylamino)butyl]-5,5-diphenylimidazol-4-one;5-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]pyridine-3-carbonitrile;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one;2-amino-5-[3-(5-fluoro-6-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one is CN(C)CCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.CN1C(=O)C(C)(c2cccc(-c3cncc(C#N)c3)c2)N=C1N.COc1cccc(-c2cc(C3(C)N=C(N)N(C)C3=O)ccc2F)c1.COc1ncc(-c2cccc(C3(C)N=C(N)N(C)C3=O)c2)cc1F.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCN(Cc2ccccc2)CC1.

What is the InChIKey of 2-amino-3-(1-benzylpiperidin-4-yl)-5,5-diphenylimidazol-4-one;2-amino-3-[4-(dimethylamino)butyl]-5,5-diphenylimidazol-4-one;5-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]pyridine-3-carbonitrile;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one;2-amino-5-[3-(5-fluoro-6-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one?

The InChIKey is GQKTXKODJGMUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O.C21H26N4O.C18H18FN3O2.C17H17FN4O2.C17H15N5O/c28-26-29-27(22-12-6-2-7-13-22,23-14-8-3-9-15-23)25(32)31(26)24-16-18-30(19-17-24)20-21-10-4-1-5-11-21;1-24(2)15-9-10-16-25-19(26)21(23-20(25)22,17-11-5-3-6-12-17)18-13-7-4-8-14-18;1-18(16(23)22(2)17(20)21-18)12-7-8-15(19)14(10-12)11-5-4-6-13(9-11)24-3;1-17(15(23)22(2)16(19)21-17)12-6-4-5-10(7-12)11-8-13(18)14(24-3)20-9-11;1-17(15(23)22(2)16(19)21-17)14-5-3-4-12(7-14)13-6-11(8-18)9-20-10-13/h1-15,24H,16-20H2,(H2,28,29);3-8,11-14H,9-10,15-16H2,1-2H3,(H2,22,23);4-10H,1-3H3,(H2,20,21);4-9H,1-3H3,(H2,19,21);3-7,9-10H,1-2H3,(H2,19,21).

What are the key properties of 2-amino-3-(1-benzylpiperidin-4-yl)-5,5-diphenylimidazol-4-one;2-amino-3-[4-(dimethylamino)butyl]-5,5-diphenylimidazol-4-one;5-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]pyridine-3-carbonitrile;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one;2-amino-5-[3-(5-fluoro-6-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one?

2-amino-3-(1-benzylpiperidin-4-yl)-5,5-diphenylimidazol-4-one;2-amino-3-[4-(dimethylamino)butyl]-5,5-diphenylimidazol-4-one;5-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]pyridine-3-carbonitrile;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one;2-amino-5-[3-(5-fluoro-6-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one has a molecular weight of 1736.06 g/mol, XLogP of 12.20, 20 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-(1-benzylpiperidin-4-yl)-5,5-diphenylimidazol-4-one;2-amino-3-[4-(dimethylamino)butyl]-5,5-diphenylimidazol-4-one;5-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]pyridine-3-carbonitrile;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one;2-amino-5-[3-(5-fluoro-6-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one is sourced from PubChem (CID 158334616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).