N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(8-nitroquinolin-2-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine

C118H107F4N25O6 — CID 158107932

About N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(8-nitroquinolin-2-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine

N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(8-nitroquinolin-2-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 158107932) has the molecular formula C118H107F4N25O6 and a molecular weight of 2047.31 g/mol. Its IUPAC name is N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(8-nitroquinolin-2-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(8-nitroquinolin-2-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine
• PubChem CID: 158107932
• Molecular Formula: C118H107F4N25O6
• Molecular Weight: 2047.31 g/mol
• Exact Mass: 2045.88
• IUPAC Name: N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(8-nitroquinolin-2-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine
• SMILES: CC(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccnc4ccccc24)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc4cccc([N+](=O)[O-])c4n2)CC3)n1.Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)C(COc2ccnc4ccccc24)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccnc(NCC4CC4)n2)C(COc2ccnc4ccccc24)CC3)cc1
• InChI: InChI=1S/2C30H27FN6O.C30H29FN6O.C28H24FN7O3/c31-20-10-8-19(9-11-20)28-29(25-14-16-33-30(35-25)34-21-4-3-5-21)37-22(12-13-27(37)36-28)18-38-26-15-17-32-24-7-2-1-6-23(24)26;31-21-9-7-20(8-10-21)28-29(25-13-15-33-30(35-25)34-17-19-5-6-19)37-22(11-12-27(37)36-28)18-38-26-14-16-32-24-4-2-1-3-23(24)26;1-19(2)17-34-30-33-15-13-25(35-30)29-28(20-7-9-21(31)10-8-20)36-27-12-11-22(37(27)29)18-38-26-14-16-32-24-6-4-3-5-23(24)26;1-2-30-28-31-15-14-21(32-28)27-26(18-6-9-19(29)10-7-18)33-23-12-11-20(35(23)27)16-39-24-13-8-17-4-3-5-22(36(37)38)25(17)34-24/h1-2,6-11,14-17,21-22H,3-5,12-13,18H2,(H,33,34,35);1-4,7-10,13-16,19,22H,5-6,11-12,17-18H2,(H,33,34,35);3-10,13-16,19,22H,11-12,17-18H2,1-2H3,(H,33,34,35);3-10,13-15,20H,2,11-12,16H2,1H3,(H,30,31,32)
• InChIKey: FQBJVGIYYAUWHG-UHFFFAOYSA-N
• XLogP: 24.24
• TPSA: 354.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2047.31
LogP ≤ 5	24.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(8-nitroquinolin-2-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine?

The IUPAC name of N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(8-nitroquinolin-2-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine (CID 158107932) is N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(8-nitroquinolin-2-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine.

What is the SMILES notation for N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(8-nitroquinolin-2-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine?

The canonical SMILES for N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(8-nitroquinolin-2-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine is CC(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccnc4ccccc24)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc4cccc([N+](=O)[O-])c4n2)CC3)n1.Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)C(COc2ccnc4ccccc24)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccnc(NCC4CC4)n2)C(COc2ccnc4ccccc24)CC3)cc1.

What is the InChIKey of N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(8-nitroquinolin-2-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine?

The InChIKey is FQBJVGIYYAUWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H27FN6O.C30H29FN6O.C28H24FN7O3/c31-20-10-8-19(9-11-20)28-29(25-14-16-33-30(35-25)34-21-4-3-5-21)37-22(12-13-27(37)36-28)18-38-26-15-17-32-24-7-2-1-6-23(24)26;31-21-9-7-20(8-10-21)28-29(25-13-15-33-30(35-25)34-17-19-5-6-19)37-22(11-12-27(37)36-28)18-38-26-14-16-32-24-4-2-1-3-23(24)26;1-19(2)17-34-30-33-15-13-25(35-30)29-28(20-7-9-21(31)10-8-20)36-27-12-11-22(37(27)29)18-38-26-14-16-32-24-6-4-3-5-23(24)26;1-2-30-28-31-15-14-21(32-28)27-26(18-6-9-19(29)10-7-18)33-23-12-11-20(35(23)27)16-39-24-13-8-17-4-3-5-22(36(37)38)25(17)34-24/h1-2,6-11,14-17,21-22H,3-5,12-13,18H2,(H,33,34,35);1-4,7-10,13-16,19,22H,5-6,11-12,17-18H2,(H,33,34,35);3-10,13-16,19,22H,11-12,17-18H2,1-2H3,(H,33,34,35);3-10,13-15,20H,2,11-12,16H2,1H3,(H,30,31,32).

What are the key properties of N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(8-nitroquinolin-2-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine?

N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(8-nitroquinolin-2-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 2047.31 g/mol, XLogP of 24.24, 31 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(8-nitroquinolin-2-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 158107932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).