N-butyl-4-[2-(4-fluorophenyl)-5-[(3-methoxyphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyridin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine

C117H120F4N18O7 — CID 157101114

About N-butyl-4-[2-(4-fluorophenyl)-5-[(3-methoxyphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyridin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine

N-butyl-4-[2-(4-fluorophenyl)-5-[(3-methoxyphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyridin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine (PubChem CID 157101114) has the molecular formula C117H120F4N18O7 and a molecular weight of 1966.36 g/mol. Its IUPAC name is N-butyl-4-[2-(4-fluorophenyl)-5-[(3-methoxyphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyridin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine.

Molecular Properties

• Compound Name: N-butyl-4-[2-(4-fluorophenyl)-5-[(3-methoxyphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyridin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
• PubChem CID: 157101114
• Molecular Formula: C117H120F4N18O7
• Molecular Weight: 1966.36 g/mol
• Exact Mass: 1964.95
• IUPAC Name: N-butyl-4-[2-(4-fluorophenyl)-5-[(3-methoxyphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyridin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
• SMILES: CCCCNc1cc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2cccc(OC)c2)CC3)ccn1.CCCNc1cc(-c2c(-c3ccc(F)cc3)nc3n2C(COCc2ccc(OC)cc2)CC3)ccn1.CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc4ccccc4n2)CC3)n1.COc1ccc(COCC2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(NC5CCC5)c4)n32)cc1
• InChI: InChI=1S/C30H31FN4O2.C29H27FN6O.2C29H31FN4O2/c1-36-26-12-5-20(6-13-26)18-37-19-25-11-14-28-34-29(21-7-9-23(31)10-8-21)30(35(25)28)22-15-16-32-27(17-22)33-24-3-2-4-24;1-2-16-31-29-32-17-15-24(34-29)28-27(20-7-10-21(30)11-8-20)35-25-13-12-22(36(25)28)18-37-26-14-9-19-5-3-4-6-23(19)33-26;1-3-15-31-26-17-22(14-16-32-26)29-28(21-6-8-23(30)9-7-21)33-27-13-10-24(34(27)29)19-36-18-20-4-11-25(35-2)12-5-20;1-3-4-15-31-26-17-21(14-16-32-26)29-28(20-8-10-22(30)11-9-20)33-27-13-12-23(34(27)29)19-36-25-7-5-6-24(18-25)35-2/h5-10,12-13,15-17,24-25H,2-4,11,14,18-19H2,1H3,(H,32,33);3-11,14-15,17,22H,2,12-13,16,18H2,1H3,(H,31,32,34);4-9,11-12,14,16-17,24H,3,10,13,15,18-19H2,1-2H3,(H,31,32);5-11,14,16-18,23H,3-4,12-13,15,19H2,1-2H3,(H,31,32)
• InChIKey: AFTSQNORDWAWMQ-UHFFFAOYSA-N
• XLogP: 25.33
• TPSA: 261.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 37
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1966.36
LogP ≤ 5	25.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[2-(4-fluorophenyl)-5-[(3-methoxyphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyridin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?

The IUPAC name of N-butyl-4-[2-(4-fluorophenyl)-5-[(3-methoxyphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyridin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine (CID 157101114) is N-butyl-4-[2-(4-fluorophenyl)-5-[(3-methoxyphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyridin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine.

What is the SMILES notation for N-butyl-4-[2-(4-fluorophenyl)-5-[(3-methoxyphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyridin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?

The canonical SMILES for N-butyl-4-[2-(4-fluorophenyl)-5-[(3-methoxyphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyridin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine is CCCCNc1cc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2cccc(OC)c2)CC3)ccn1.CCCNc1cc(-c2c(-c3ccc(F)cc3)nc3n2C(COCc2ccc(OC)cc2)CC3)ccn1.CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc4ccccc4n2)CC3)n1.COc1ccc(COCC2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(NC5CCC5)c4)n32)cc1.

What is the InChIKey of N-butyl-4-[2-(4-fluorophenyl)-5-[(3-methoxyphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyridin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?

The InChIKey is AFTSQNORDWAWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O2.C29H27FN6O.2C29H31FN4O2/c1-36-26-12-5-20(6-13-26)18-37-19-25-11-14-28-34-29(21-7-9-23(31)10-8-21)30(35(25)28)22-15-16-32-27(17-22)33-24-3-2-4-24;1-2-16-31-29-32-17-15-24(34-29)28-27(20-7-10-21(30)11-8-20)35-25-13-12-22(36(25)28)18-37-26-14-9-19-5-3-4-6-23(19)33-26;1-3-15-31-26-17-22(14-16-32-26)29-28(21-6-8-23(30)9-7-21)33-27-13-10-24(34(27)29)19-36-18-20-4-11-25(35-2)12-5-20;1-3-4-15-31-26-17-21(14-16-32-26)29-28(20-8-10-22(30)11-9-20)33-27-13-12-23(34(27)29)19-36-25-7-5-6-24(18-25)35-2/h5-10,12-13,15-17,24-25H,2-4,11,14,18-19H2,1H3,(H,32,33);3-11,14-15,17,22H,2,12-13,16,18H2,1H3,(H,31,32,34);4-9,11-12,14,16-17,24H,3,10,13,15,18-19H2,1-2H3,(H,31,32);5-11,14,16-18,23H,3-4,12-13,15,19H2,1-2H3,(H,31,32).

What are the key properties of N-butyl-4-[2-(4-fluorophenyl)-5-[(3-methoxyphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyridin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?

N-butyl-4-[2-(4-fluorophenyl)-5-[(3-methoxyphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyridin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine has a molecular weight of 1966.36 g/mol, XLogP of 25.33, 37 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-4-[2-(4-fluorophenyl)-5-[(3-methoxyphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyridin-2-amine;4-[2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyridin-2-amine;4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 157101114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).