3-ethyl-N-(3-ethylphenyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

C31H29N3O2 — CID 126726326

IUPAC3-ethyl-N-(3-ethylphenyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCc1cccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)c1
InChIInChI=1S/C31H29N3O2/c1-3-22-12-11-17-26(20-22)32-29(35)23-18-19-27-28(21-23)34(4-2)30(33-27)31(36,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-21,36H,3-4H2,1-2H3,(H,32,35)
InChIKeyZEWDGHSEBYXGSW-UHFFFAOYSA-N
MW475.59 g/mol
LogP6.16
Rot. Bonds7

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

3-ethyl-N-(3-ethylphenyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 126726326) has the molecular formula C31H29N3O2 and a molecular weight of 475.59 g/mol. Its IUPAC name is 3-ethyl-N-(3-ethylphenyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-ethylphenyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID126726326
Molecular FormulaC31H29N3O2
Molecular Weight475.59 g/mol
Exact Mass475.23
IUPAC Name3-ethyl-N-(3-ethylphenyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCc1cccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)c1
InChIInChI=1S/C31H29N3O2/c1-3-22-12-11-17-26(20-22)32-29(35)23-18-19-27-28(21-23)34(4-2)30(33-27)31(36,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-21,36H,3-4H2,1-2H3,(H,32,35)
InChIKeyZEWDGHSEBYXGSW-UHFFFAOYSA-N
XLogP6.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-ethylphenyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-(3-ethylphenyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (CID 126726326) is 3-ethyl-N-(3-ethylphenyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-ethylphenyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-ethylphenyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is CCc1cccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)c1.
What is the InChIKey of 3-ethyl-N-(3-ethylphenyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is ZEWDGHSEBYXGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O2/c1-3-22-12-11-17-26(20-22)32-29(35)23-18-19-27-28(21-23)34(4-2)30(33-27)31(36,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-21,36H,3-4H2,1-2H3,(H,32,35).
What are the key properties of 3-ethyl-N-(3-ethylphenyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
3-ethyl-N-(3-ethylphenyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 6.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-ethylphenyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 126726326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).