1-[(3R,4R)-4-hydroxy-1-[2-[(1-methylbenzimidazol-2-yl)methoxy]acetyl]pyrrolidin-3-yl]indole-5-carboxamide

C24H25N5O4 — CID 110160489

About 1-[(3R,4R)-4-hydroxy-1-[2-[(1-methylbenzimidazol-2-yl)methoxy]acetyl]pyrrolidin-3-yl]indole-5-carboxamide

1-[(3R,4R)-4-hydroxy-1-[2-[(1-methylbenzimidazol-2-yl)methoxy]acetyl]pyrrolidin-3-yl]indole-5-carboxamide (PubChem CID 110160489) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 1-[(3R,4R)-4-hydroxy-1-[2-[(1-methylbenzimidazol-2-yl)methoxy]acetyl]pyrrolidin-3-yl]indole-5-carboxamide.

Molecular Properties

• Compound Name: 1-[(3R,4R)-4-hydroxy-1-[2-[(1-methylbenzimidazol-2-yl)methoxy]acetyl]pyrrolidin-3-yl]indole-5-carboxamide
• PubChem CID: 110160489
• Molecular Formula: C24H25N5O4
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.19
• IUPAC Name: 1-[(3R,4R)-4-hydroxy-1-[2-[(1-methylbenzimidazol-2-yl)methoxy]acetyl]pyrrolidin-3-yl]indole-5-carboxamide
• SMILES: Cn1c(COCC(=O)N2C[C@@H](O)[C@H](n3ccc4cc(C(N)=O)ccc43)C2)nc2ccccc21
• InChI: InChI=1S/C24H25N5O4/c1-27-19-5-3-2-4-17(19)26-22(27)13-33-14-23(31)28-11-20(21(30)12-28)29-9-8-15-10-16(24(25)32)6-7-18(15)29/h2-10,20-21,30H,11-14H2,1H3,(H2,25,32)/t20-,21-/m1/s1
• InChIKey: XGSCEPDVQRETFA-NHCUHLMSSA-N
• XLogP: 1.59
• TPSA: 115.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.50
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-hydroxy-1-[2-[(1-methylbenzimidazol-2-yl)methoxy]acetyl]pyrrolidin-3-yl]indole-5-carboxamide?

The IUPAC name of 1-[(3R,4R)-4-hydroxy-1-[2-[(1-methylbenzimidazol-2-yl)methoxy]acetyl]pyrrolidin-3-yl]indole-5-carboxamide (CID 110160489) is 1-[(3R,4R)-4-hydroxy-1-[2-[(1-methylbenzimidazol-2-yl)methoxy]acetyl]pyrrolidin-3-yl]indole-5-carboxamide.

What is the SMILES notation for 1-[(3R,4R)-4-hydroxy-1-[2-[(1-methylbenzimidazol-2-yl)methoxy]acetyl]pyrrolidin-3-yl]indole-5-carboxamide?

The canonical SMILES for 1-[(3R,4R)-4-hydroxy-1-[2-[(1-methylbenzimidazol-2-yl)methoxy]acetyl]pyrrolidin-3-yl]indole-5-carboxamide is Cn1c(COCC(=O)N2C[C@@H](O)[C@H](n3ccc4cc(C(N)=O)ccc43)C2)nc2ccccc21.

What is the InChIKey of 1-[(3R,4R)-4-hydroxy-1-[2-[(1-methylbenzimidazol-2-yl)methoxy]acetyl]pyrrolidin-3-yl]indole-5-carboxamide?

The InChIKey is XGSCEPDVQRETFA-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-27-19-5-3-2-4-17(19)26-22(27)13-33-14-23(31)28-11-20(21(30)12-28)29-9-8-15-10-16(24(25)32)6-7-18(15)29/h2-10,20-21,30H,11-14H2,1H3,(H2,25,32)/t20-,21-/m1/s1.

What are the key properties of 1-[(3R,4R)-4-hydroxy-1-[2-[(1-methylbenzimidazol-2-yl)methoxy]acetyl]pyrrolidin-3-yl]indole-5-carboxamide?

1-[(3R,4R)-4-hydroxy-1-[2-[(1-methylbenzimidazol-2-yl)methoxy]acetyl]pyrrolidin-3-yl]indole-5-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R,4R)-4-hydroxy-1-[2-[(1-methylbenzimidazol-2-yl)methoxy]acetyl]pyrrolidin-3-yl]indole-5-carboxamide is sourced from PubChem (CID 110160489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).