N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide

C25H32N4O2 — CID 7693280

About N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide

N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide (PubChem CID 7693280) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide
• PubChem CID: 7693280
• Molecular Formula: C25H32N4O2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.25
• IUPAC Name: N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide
• SMILES: Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)C2CCCCC2)n(C[C@@H]2CCCO2)c1C
• InChI: InChI=1S/C25H32N4O2/c1-16-17(2)29(15-19-11-8-14-31-19)24(28-25(30)18-9-4-3-5-10-18)22(16)23-26-20-12-6-7-13-21(20)27-23/h6-7,12-13,18-19H,3-5,8-11,14-15H2,1-2H3,(H,26,27)(H,28,30)/t19-/m0/s1
• InChIKey: RIBGTXLMDVCRCF-IBGZPJMESA-N
• XLogP: 5.35
• TPSA: 71.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide?

The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide (CID 7693280) is N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide.

What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide?

The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide is Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)C2CCCCC2)n(C[C@@H]2CCCO2)c1C.

What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide?

The InChIKey is RIBGTXLMDVCRCF-IBGZPJMESA-N. The full InChI is InChI=1S/C25H32N4O2/c1-16-17(2)29(15-19-11-8-14-31-19)24(28-25(30)18-9-4-3-5-10-18)22(16)23-26-20-12-6-7-13-21(20)27-23/h6-7,12-13,18-19H,3-5,8-11,14-15H2,1-2H3,(H,26,27)(H,28,30)/t19-/m0/s1.

What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide?

N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide has a molecular weight of 420.56 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 7693280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).