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

C30H28N4O3 — CID 126726344

IUPAC3-ethyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCn1cccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)c1=O
InChIInChI=1S/C30H28N4O3/c1-3-33-19-11-16-25(28(33)36)31-27(35)21-17-18-24-26(20-21)34(4-2)29(32-24)30(37,22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-20,37H,3-4H2,1-2H3,(H,31,35)
InChIKeyQSNPPNXTGAEJDN-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.77
Rot. Bonds7

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

3-ethyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 126726344) has the molecular formula C30H28N4O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 3-ethyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID126726344
Molecular FormulaC30H28N4O3
Molecular Weight492.58 g/mol
Exact Mass492.22
IUPAC Name3-ethyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCn1cccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)c1=O
InChIInChI=1S/C30H28N4O3/c1-3-33-19-11-16-25(28(33)36)31-27(35)21-17-18-24-26(20-21)34(4-2)29(32-24)30(37,22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-20,37H,3-4H2,1-2H3,(H,31,35)
InChIKeyQSNPPNXTGAEJDN-UHFFFAOYSA-N
XLogP4.77
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (CID 126726344) is 3-ethyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is CCn1cccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)c1=O.
What is the InChIKey of 3-ethyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is QSNPPNXTGAEJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O3/c1-3-33-19-11-16-25(28(33)36)31-27(35)21-17-18-24-26(20-21)34(4-2)29(32-24)30(37,22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-20,37H,3-4H2,1-2H3,(H,31,35).
What are the key properties of 3-ethyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
3-ethyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 126726344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).