[1-ethyl-6-(1-ethylpyrazol-3-yl)benzimidazol-2-yl]-diphenylmethanol

C27H26N4O — CID 126726451

IUPAC[1-ethyl-6-(1-ethylpyrazol-3-yl)benzimidazol-2-yl]-diphenylmethanol
SMILESCCn1ccc(-c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)n1
InChIInChI=1S/C27H26N4O/c1-3-30-18-17-23(29-30)20-15-16-24-25(19-20)31(4-2)26(28-24)27(32,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-19,32H,3-4H2,1-2H3
InChIKeyQCZOFMMIIFZOAP-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.22
Rot. Bonds6

About [1-ethyl-6-(1-ethylpyrazol-3-yl)benzimidazol-2-yl]-diphenylmethanol

[1-ethyl-6-(1-ethylpyrazol-3-yl)benzimidazol-2-yl]-diphenylmethanol (PubChem CID 126726451) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is [1-ethyl-6-(1-ethylpyrazol-3-yl)benzimidazol-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-ethyl-6-(1-ethylpyrazol-3-yl)benzimidazol-2-yl]-diphenylmethanol
PubChem CID126726451
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name[1-ethyl-6-(1-ethylpyrazol-3-yl)benzimidazol-2-yl]-diphenylmethanol
SMILESCCn1ccc(-c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)n1
InChIInChI=1S/C27H26N4O/c1-3-30-18-17-23(29-30)20-15-16-24-25(19-20)31(4-2)26(28-24)27(32,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-19,32H,3-4H2,1-2H3
InChIKeyQCZOFMMIIFZOAP-UHFFFAOYSA-N
XLogP5.22
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-6-(1-ethylpyrazol-3-yl)benzimidazol-2-yl]-diphenylmethanol?
The IUPAC name of [1-ethyl-6-(1-ethylpyrazol-3-yl)benzimidazol-2-yl]-diphenylmethanol (CID 126726451) is [1-ethyl-6-(1-ethylpyrazol-3-yl)benzimidazol-2-yl]-diphenylmethanol.
What is the SMILES notation for [1-ethyl-6-(1-ethylpyrazol-3-yl)benzimidazol-2-yl]-diphenylmethanol?
The canonical SMILES for [1-ethyl-6-(1-ethylpyrazol-3-yl)benzimidazol-2-yl]-diphenylmethanol is CCn1ccc(-c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)n1.
What is the InChIKey of [1-ethyl-6-(1-ethylpyrazol-3-yl)benzimidazol-2-yl]-diphenylmethanol?
The InChIKey is QCZOFMMIIFZOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c1-3-30-18-17-23(29-30)20-15-16-24-25(19-20)31(4-2)26(28-24)27(32,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-19,32H,3-4H2,1-2H3.
What are the key properties of [1-ethyl-6-(1-ethylpyrazol-3-yl)benzimidazol-2-yl]-diphenylmethanol?
[1-ethyl-6-(1-ethylpyrazol-3-yl)benzimidazol-2-yl]-diphenylmethanol has a molecular weight of 422.53 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-6-(1-ethylpyrazol-3-yl)benzimidazol-2-yl]-diphenylmethanol is sourced from PubChem (CID 126726451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).