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

C28H27N5O2 — CID 126726350

IUPAC3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCn1cc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)cn1
InChIInChI=1S/C28H27N5O2/c1-3-32-19-23(18-29-32)30-26(34)20-15-16-24-25(17-20)33(4-2)27(31-24)28(35,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-19,35H,3-4H2,1-2H3,(H,30,34)
InChIKeyZORZHOKZUYGZEV-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.81
Rot. Bonds7

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

3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 126726350) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID126726350
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCn1cc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)cn1
InChIInChI=1S/C28H27N5O2/c1-3-32-19-23(18-29-32)30-26(34)20-15-16-24-25(17-20)33(4-2)27(31-24)28(35,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-19,35H,3-4H2,1-2H3,(H,30,34)
InChIKeyZORZHOKZUYGZEV-UHFFFAOYSA-N
XLogP4.81
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.81
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-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (CID 126726350) is 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is CCn1cc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)cn1.
What is the InChIKey of 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is ZORZHOKZUYGZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-3-32-19-23(18-29-32)30-26(34)20-15-16-24-25(17-20)33(4-2)27(31-24)28(35,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-19,35H,3-4H2,1-2H3,(H,30,34).
What are the key properties of 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 4.81, 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-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 126726350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).