3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

C27H26N6O2 — CID 118519223

IUPAC3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCn1cnc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)n1
InChIInChI=1S/C27H26N6O2/c1-3-32-18-28-26(31-32)30-24(34)19-15-16-22-23(17-19)33(4-2)25(29-22)27(35,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,35H,3-4H2,1-2H3,(H,30,31,34)
InChIKeyDGYUTIKMEVOPOV-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.20
Rot. Bonds7

About 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 118519223) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID118519223
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCn1cnc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)n1
InChIInChI=1S/C27H26N6O2/c1-3-32-18-28-26(31-32)30-24(34)19-15-16-22-23(17-19)33(4-2)25(29-22)27(35,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,35H,3-4H2,1-2H3,(H,30,31,34)
InChIKeyDGYUTIKMEVOPOV-UHFFFAOYSA-N
XLogP4.20
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (CID 118519223) is 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is CCn1cnc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)n1.
What is the InChIKey of 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is DGYUTIKMEVOPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-3-32-18-28-26(31-32)30-24(34)19-15-16-22-23(17-19)33(4-2)25(29-22)27(35,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,35H,3-4H2,1-2H3,(H,30,31,34).
What are the key properties of 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 466.55 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 118519223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).