3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

C29H30N4O3 — CID 126726375

IUPAC3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCN1CC(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)CC1=O
InChIInChI=1S/C29H30N4O3/c1-3-32-19-23(18-26(32)34)30-27(35)20-15-16-24-25(17-20)33(4-2)28(31-24)29(36,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-17,23,36H,3-4,18-19H2,1-2H3,(H,30,35)
InChIKeyYQSSRDYMNPXPAR-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.69
Rot. Bonds7

About 3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 126726375) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID126726375
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCN1CC(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)CC1=O
InChIInChI=1S/C29H30N4O3/c1-3-32-19-23(18-26(32)34)30-27(35)20-15-16-24-25(17-20)33(4-2)28(31-24)29(36,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-17,23,36H,3-4,18-19H2,1-2H3,(H,30,35)
InChIKeyYQSSRDYMNPXPAR-UHFFFAOYSA-N
XLogP3.69
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (CID 126726375) is 3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is CCN1CC(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)CC1=O.
What is the InChIKey of 3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is YQSSRDYMNPXPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-3-32-19-23(18-26(32)34)30-27(35)20-15-16-24-25(17-20)33(4-2)28(31-24)29(36,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-17,23,36H,3-4,18-19H2,1-2H3,(H,30,35).
What are the key properties of 3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 126726375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).