N-[(2-chlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(2,4-dichlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(3-fluorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline

C133H125Cl3F6N20O2 — CID 158480875

About N-[(2-chlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(2,4-dichlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(3-fluorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline

N-[(2-chlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(2,4-dichlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(3-fluorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 158480875) has the molecular formula C133H125Cl3F6N20O2 and a molecular weight of 2255.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(2,4-dichlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(3-fluorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(2,4-dichlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(3-fluorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline
• PubChem CID: 158480875
• Molecular Formula: C133H125Cl3F6N20O2
• Molecular Weight: 2255.95 g/mol
• Exact Mass: 2252.93
• IUPAC Name: N-[(2-chlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(2,4-dichlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(3-fluorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline
• SMILES: CN(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.CN(Cc1cccc(F)c1)C[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.CN(Cc1ccccc1Cl)C[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.COc1ccc(CN(C)C[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)cc1.COc1ccc2c(c1)CCN(C[C@@H]1CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n31)C2
• InChI: InChI=1S/C28H27FN4O.C27H27FN4O.C26H23Cl2FN4.C26H24ClFN4.C26H24F2N4/c1-34-25-8-4-22-17-32(15-12-21(22)16-25)18-24-7-9-26-31-27(19-2-5-23(29)6-3-19)28(33(24)26)20-10-13-30-14-11-20;1-31(17-19-3-10-24(33-2)11-4-19)18-23-9-12-25-30-26(20-5-7-22(28)8-6-20)27(32(23)25)21-13-15-29-16-14-21;1-32(15-19-2-5-20(27)14-23(19)28)16-22-8-9-24-31-25(17-3-6-21(29)7-4-17)26(33(22)24)18-10-12-30-13-11-18;1-31(16-20-4-2-3-5-23(20)27)17-22-10-11-24-30-25(18-6-8-21(28)9-7-18)26(32(22)24)19-12-14-29-15-13-19;1-31(16-18-3-2-4-22(28)15-18)17-23-9-10-24-30-25(19-5-7-21(27)8-6-19)26(32(23)24)20-11-13-29-14-12-20/h2-6,8,10-11,13-14,16,24H,7,9,12,15,17-18H2,1H3;3-8,10-11,13-16,23H,9,12,17-18H2,1-2H3;2-7,10-14,22H,8-9,15-16H2,1H3;2-9,12-15,22H,10-11,16-17H2,1H3;2-8,11-15,23H,9-10,16-17H2,1H3/t24-;23-;2*22-;23-/m00000/s1
• InChIKey: HHMUUTWMRYNKNW-UQSUDYMASA-N
• XLogP: 28.90
• TPSA: 188.21 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 30
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2255.95
LogP ≤ 5	28.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(2,4-dichlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(3-fluorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline?

The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(2,4-dichlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(3-fluorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline (CID 158480875) is N-[(2-chlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(2,4-dichlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(3-fluorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(2,4-dichlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(3-fluorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(2,4-dichlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(3-fluorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline is CN(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.CN(Cc1cccc(F)c1)C[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.CN(Cc1ccccc1Cl)C[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.COc1ccc(CN(C)C[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)cc1.COc1ccc2c(c1)CCN(C[C@@H]1CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n31)C2.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(2,4-dichlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(3-fluorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline?

The InChIKey is HHMUUTWMRYNKNW-UQSUDYMASA-N. The full InChI is InChI=1S/C28H27FN4O.C27H27FN4O.C26H23Cl2FN4.C26H24ClFN4.C26H24F2N4/c1-34-25-8-4-22-17-32(15-12-21(22)16-25)18-24-7-9-26-31-27(19-2-5-23(29)6-3-19)28(33(24)26)20-10-13-30-14-11-20;1-31(17-19-3-10-24(33-2)11-4-19)18-23-9-12-25-30-26(20-5-7-22(28)8-6-20)27(32(23)25)21-13-15-29-16-14-21;1-32(15-19-2-5-20(27)14-23(19)28)16-22-8-9-24-31-25(17-3-6-21(29)7-4-17)26(33(22)24)18-10-12-30-13-11-18;1-31(16-20-4-2-3-5-23(20)27)17-22-10-11-24-30-25(18-6-8-21(28)9-7-18)26(32(22)24)19-12-14-29-15-13-19;1-31(16-18-3-2-4-22(28)15-18)17-23-9-10-24-30-25(19-5-7-21(27)8-6-19)26(32(23)24)20-11-13-29-14-12-20/h2-6,8,10-11,13-14,16,24H,7,9,12,15,17-18H2,1H3;3-8,10-11,13-16,23H,9,12,17-18H2,1-2H3;2-7,10-14,22H,8-9,15-16H2,1H3;2-9,12-15,22H,10-11,16-17H2,1H3;2-8,11-15,23H,9-10,16-17H2,1H3/t24-;23-;2*22-;23-/m00000/s1.

What are the key properties of N-[(2-chlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(2,4-dichlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(3-fluorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline?

N-[(2-chlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(2,4-dichlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(3-fluorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 2255.95 g/mol, XLogP of 28.90, 30 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(2,4-dichlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(3-fluorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 158480875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).