4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide

C24H26N6O3 — CID 154833713

IUPAC4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
SMILESCC1(c2cccc(CNC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c2)NC(=O)NC1=O
InChIInChI=1S/C24H26N6O3/c1-24(21(31)28-22(32)29-24)17-6-4-5-15(13-17)14-25-23(33)30-11-9-16(10-12-30)20-26-18-7-2-3-8-19(18)27-20/h2-8,13,16H,9-12,14H2,1H3,(H,25,33)(H,26,27)(H2,28,29,31,32)
InChIKeyFIDXSGVKVPGKTO-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.71
Rot. Bonds4

About 4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide

4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 154833713) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID154833713
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
SMILESCC1(c2cccc(CNC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c2)NC(=O)NC1=O
InChIInChI=1S/C24H26N6O3/c1-24(21(31)28-22(32)29-24)17-6-4-5-15(13-17)14-25-23(33)30-11-9-16(10-12-30)20-26-18-7-2-3-8-19(18)27-20/h2-8,13,16H,9-12,14H2,1H3,(H,25,33)(H,26,27)(H2,28,29,31,32)
InChIKeyFIDXSGVKVPGKTO-UHFFFAOYSA-N
XLogP2.71
TPSA119.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide (CID 154833713) is 4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide is CC1(c2cccc(CNC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c2)NC(=O)NC1=O.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is FIDXSGVKVPGKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-24(21(31)28-22(32)29-24)17-6-4-5-15(13-17)14-25-23(33)30-11-9-16(10-12-30)20-26-18-7-2-3-8-19(18)27-20/h2-8,13,16H,9-12,14H2,1H3,(H,25,33)(H,26,27)(H2,28,29,31,32).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide?
4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 2.71, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 154833713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).