cyclopropyl-[(3R)-3-[[2-[4-(1H-indol-5-yl)phenyl]-6-methoxybenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone

C31H30N4O2 — CID 66579534

About cyclopropyl-[(3R)-3-[[2-[4-(1H-indol-5-yl)phenyl]-6-methoxybenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone

cyclopropyl-[(3R)-3-[[2-[4-(1H-indol-5-yl)phenyl]-6-methoxybenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 66579534) has the molecular formula C31H30N4O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is cyclopropyl-[(3R)-3-[[2-[4-(1H-indol-5-yl)phenyl]-6-methoxybenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[(3R)-3-[[2-[4-(1H-indol-5-yl)phenyl]-6-methoxybenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 66579534
• Molecular Formula: C31H30N4O2
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.24
• IUPAC Name: cyclopropyl-[(3R)-3-[[2-[4-(1H-indol-5-yl)phenyl]-6-methoxybenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
• SMILES: COc1ccc2nc(-c3ccc(-c4ccc5[nH]ccc5c4)cc3)n(C[C@H]3CCN(C(=O)C4CC4)C3)c2c1
• InChI: InChI=1S/C31H30N4O2/c1-37-26-9-11-28-29(17-26)35(19-20-13-15-34(18-20)31(36)23-6-7-23)30(33-28)22-4-2-21(3-5-22)24-8-10-27-25(16-24)12-14-32-27/h2-5,8-12,14,16-17,20,23,32H,6-7,13,15,18-19H2,1H3/t20-/m0/s1
• InChIKey: UMMNQXLLVCEVGT-FQEVSTJZSA-N
• XLogP: 6.12
• TPSA: 63.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R)-3-[[2-[4-(1H-indol-5-yl)phenyl]-6-methoxybenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of cyclopropyl-[(3R)-3-[[2-[4-(1H-indol-5-yl)phenyl]-6-methoxybenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone (CID 66579534) is cyclopropyl-[(3R)-3-[[2-[4-(1H-indol-5-yl)phenyl]-6-methoxybenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for cyclopropyl-[(3R)-3-[[2-[4-(1H-indol-5-yl)phenyl]-6-methoxybenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for cyclopropyl-[(3R)-3-[[2-[4-(1H-indol-5-yl)phenyl]-6-methoxybenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone is COc1ccc2nc(-c3ccc(-c4ccc5[nH]ccc5c4)cc3)n(C[C@H]3CCN(C(=O)C4CC4)C3)c2c1.

What is the InChIKey of cyclopropyl-[(3R)-3-[[2-[4-(1H-indol-5-yl)phenyl]-6-methoxybenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

The InChIKey is UMMNQXLLVCEVGT-FQEVSTJZSA-N. The full InChI is InChI=1S/C31H30N4O2/c1-37-26-9-11-28-29(17-26)35(19-20-13-15-34(18-20)31(36)23-6-7-23)30(33-28)22-4-2-21(3-5-22)24-8-10-27-25(16-24)12-14-32-27/h2-5,8-12,14,16-17,20,23,32H,6-7,13,15,18-19H2,1H3/t20-/m0/s1.

What are the key properties of cyclopropyl-[(3R)-3-[[2-[4-(1H-indol-5-yl)phenyl]-6-methoxybenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

cyclopropyl-[(3R)-3-[[2-[4-(1H-indol-5-yl)phenyl]-6-methoxybenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 490.61 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[(3R)-3-[[2-[4-(1H-indol-5-yl)phenyl]-6-methoxybenzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 66579534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).