[1-ethyl-6-(1-ethylpyrazol-3-yl)-5-fluorobenzimidazol-2-yl]-diphenylmethanol

C27H25FN4O — CID 126726452

IUPAC[1-ethyl-6-(1-ethylpyrazol-3-yl)-5-fluorobenzimidazol-2-yl]-diphenylmethanol
SMILESCCn1ccc(-c2cc3c(cc2F)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)n1
InChIInChI=1S/C27H25FN4O/c1-3-31-16-15-23(30-31)21-17-25-24(18-22(21)28)29-26(32(25)4-2)27(33,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18,33H,3-4H2,1-2H3
InChIKeyIATTUHDDPFJCRG-UHFFFAOYSA-N
MW440.52 g/mol
LogP5.36
Rot. Bonds6

About [1-ethyl-6-(1-ethylpyrazol-3-yl)-5-fluorobenzimidazol-2-yl]-diphenylmethanol

[1-ethyl-6-(1-ethylpyrazol-3-yl)-5-fluorobenzimidazol-2-yl]-diphenylmethanol (PubChem CID 126726452) has the molecular formula C27H25FN4O and a molecular weight of 440.52 g/mol. Its IUPAC name is [1-ethyl-6-(1-ethylpyrazol-3-yl)-5-fluorobenzimidazol-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-ethyl-6-(1-ethylpyrazol-3-yl)-5-fluorobenzimidazol-2-yl]-diphenylmethanol
PubChem CID126726452
Molecular FormulaC27H25FN4O
Molecular Weight440.52 g/mol
Exact Mass440.20
IUPAC Name[1-ethyl-6-(1-ethylpyrazol-3-yl)-5-fluorobenzimidazol-2-yl]-diphenylmethanol
SMILESCCn1ccc(-c2cc3c(cc2F)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)n1
InChIInChI=1S/C27H25FN4O/c1-3-31-16-15-23(30-31)21-17-25-24(18-22(21)28)29-26(32(25)4-2)27(33,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18,33H,3-4H2,1-2H3
InChIKeyIATTUHDDPFJCRG-UHFFFAOYSA-N
XLogP5.36
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.52
LogP ≤ 55.36
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)-5-fluorobenzimidazol-2-yl]-diphenylmethanol?
The IUPAC name of [1-ethyl-6-(1-ethylpyrazol-3-yl)-5-fluorobenzimidazol-2-yl]-diphenylmethanol (CID 126726452) is [1-ethyl-6-(1-ethylpyrazol-3-yl)-5-fluorobenzimidazol-2-yl]-diphenylmethanol.
What is the SMILES notation for [1-ethyl-6-(1-ethylpyrazol-3-yl)-5-fluorobenzimidazol-2-yl]-diphenylmethanol?
The canonical SMILES for [1-ethyl-6-(1-ethylpyrazol-3-yl)-5-fluorobenzimidazol-2-yl]-diphenylmethanol is CCn1ccc(-c2cc3c(cc2F)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)n1.
What is the InChIKey of [1-ethyl-6-(1-ethylpyrazol-3-yl)-5-fluorobenzimidazol-2-yl]-diphenylmethanol?
The InChIKey is IATTUHDDPFJCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O/c1-3-31-16-15-23(30-31)21-17-25-24(18-22(21)28)29-26(32(25)4-2)27(33,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18,33H,3-4H2,1-2H3.
What are the key properties of [1-ethyl-6-(1-ethylpyrazol-3-yl)-5-fluorobenzimidazol-2-yl]-diphenylmethanol?
[1-ethyl-6-(1-ethylpyrazol-3-yl)-5-fluorobenzimidazol-2-yl]-diphenylmethanol has a molecular weight of 440.52 g/mol, XLogP of 5.36, 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)-5-fluorobenzimidazol-2-yl]-diphenylmethanol is sourced from PubChem (CID 126726452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).