(1-ethyl-7-fluoro-6-methylbenzimidazol-2-yl)-diphenylmethanol

C23H21FN2O — CID 126726506

IUPAC(1-ethyl-7-fluoro-6-methylbenzimidazol-2-yl)-diphenylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C)c(F)c21
InChIInChI=1S/C23H21FN2O/c1-3-26-21-19(15-14-16(2)20(21)24)25-22(26)23(27,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15,27H,3H2,1-2H3
InChIKeyZCKXISVDDOGSPZ-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.79
Rot. Bonds4

About (1-ethyl-7-fluoro-6-methylbenzimidazol-2-yl)-diphenylmethanol

(1-ethyl-7-fluoro-6-methylbenzimidazol-2-yl)-diphenylmethanol (PubChem CID 126726506) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is (1-ethyl-7-fluoro-6-methylbenzimidazol-2-yl)-diphenylmethanol.

Molecular Properties

Compound Name(1-ethyl-7-fluoro-6-methylbenzimidazol-2-yl)-diphenylmethanol
PubChem CID126726506
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name(1-ethyl-7-fluoro-6-methylbenzimidazol-2-yl)-diphenylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C)c(F)c21
InChIInChI=1S/C23H21FN2O/c1-3-26-21-19(15-14-16(2)20(21)24)25-22(26)23(27,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15,27H,3H2,1-2H3
InChIKeyZCKXISVDDOGSPZ-UHFFFAOYSA-N
XLogP4.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-7-fluoro-6-methylbenzimidazol-2-yl)-diphenylmethanol?
The IUPAC name of (1-ethyl-7-fluoro-6-methylbenzimidazol-2-yl)-diphenylmethanol (CID 126726506) is (1-ethyl-7-fluoro-6-methylbenzimidazol-2-yl)-diphenylmethanol.
What is the SMILES notation for (1-ethyl-7-fluoro-6-methylbenzimidazol-2-yl)-diphenylmethanol?
The canonical SMILES for (1-ethyl-7-fluoro-6-methylbenzimidazol-2-yl)-diphenylmethanol is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C)c(F)c21.
What is the InChIKey of (1-ethyl-7-fluoro-6-methylbenzimidazol-2-yl)-diphenylmethanol?
The InChIKey is ZCKXISVDDOGSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c1-3-26-21-19(15-14-16(2)20(21)24)25-22(26)23(27,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15,27H,3H2,1-2H3.
What are the key properties of (1-ethyl-7-fluoro-6-methylbenzimidazol-2-yl)-diphenylmethanol?
(1-ethyl-7-fluoro-6-methylbenzimidazol-2-yl)-diphenylmethanol has a molecular weight of 360.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-7-fluoro-6-methylbenzimidazol-2-yl)-diphenylmethanol is sourced from PubChem (CID 126726506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).