3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

C30H32N4O3 — CID 126726377

IUPAC3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCN1C[C@@H](NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)CCC1=O
InChIInChI=1S/C30H32N4O3/c1-3-33-20-24(16-18-27(33)35)31-28(36)21-15-17-25-26(19-21)34(4-2)29(32-25)30(37,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-15,17,19,24,37H,3-4,16,18,20H2,1-2H3,(H,31,36)/t24-/m0/s1
InChIKeyCAIOKAFJOHKEQM-DEOSSOPVSA-N
MW496.61 g/mol
LogP4.08
Rot. Bonds7

About 3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 126726377) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID126726377
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCN1C[C@@H](NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)CCC1=O
InChIInChI=1S/C30H32N4O3/c1-3-33-20-24(16-18-27(33)35)31-28(36)21-15-17-25-26(19-21)34(4-2)29(32-25)30(37,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-15,17,19,24,37H,3-4,16,18,20H2,1-2H3,(H,31,36)/t24-/m0/s1
InChIKeyCAIOKAFJOHKEQM-DEOSSOPVSA-N
XLogP4.08
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (CID 126726377) is 3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is CCN1C[C@@H](NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)CCC1=O.
What is the InChIKey of 3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is CAIOKAFJOHKEQM-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-3-33-20-24(16-18-27(33)35)31-28(36)21-15-17-25-26(19-21)34(4-2)29(32-25)30(37,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-15,17,19,24,37H,3-4,16,18,20H2,1-2H3,(H,31,36)/t24-/m0/s1.
What are the key properties of 3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 126726377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).