N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C29H32F3N5O4S — CID 58742927

About N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 58742927) has the molecular formula C29H32F3N5O4S and a molecular weight of 603.67 g/mol. Its IUPAC name is N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
• PubChem CID: 58742927
• Molecular Formula: C29H32F3N5O4S
• Molecular Weight: 603.67 g/mol
• Exact Mass: 603.21
• IUPAC Name: N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
• SMILES: CN(C(=O)CC1CCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C(=O)C(F)(F)F)s1)n2CCCN1CCCC1=O
• InChI: InChI=1S/C29H32F3N5O4S/c1-35(25(39)16-18-6-2-3-7-18)19-9-10-21-20(17-19)33-28(37(21)15-5-14-36-13-4-8-24(36)38)34-27(41)23-12-11-22(42-23)26(40)29(30,31)32/h9-12,17-18H,2-8,13-16H2,1H3,(H,33,34,41)
• InChIKey: LRUJUAJXFRYERO-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 104.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.67
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?

The IUPAC name of N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 58742927) is N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

What is the SMILES notation for N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?

The canonical SMILES for N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is CN(C(=O)CC1CCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C(=O)C(F)(F)F)s1)n2CCCN1CCCC1=O.

What is the InChIKey of N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?

The InChIKey is LRUJUAJXFRYERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N5O4S/c1-35(25(39)16-18-6-2-3-7-18)19-9-10-21-20(17-19)33-28(37(21)15-5-14-36-13-4-8-24(36)38)34-27(41)23-12-11-22(42-23)26(40)29(30,31)32/h9-12,17-18H,2-8,13-16H2,1H3,(H,33,34,41).

What are the key properties of N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?

N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 603.67 g/mol, XLogP of 5.65, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 58742927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).