(5-ethoxy-1-methylbenzimidazol-2-yl)-diphenylmethanol

C23H22N2O2 — CID 126726424

IUPAC(5-ethoxy-1-methylbenzimidazol-2-yl)-diphenylmethanol
SMILESCCOc1ccc2c(c1)nc(C(O)(c1ccccc1)c1ccccc1)n2C
InChIInChI=1S/C23H22N2O2/c1-3-27-19-14-15-21-20(16-19)24-22(25(21)2)23(26,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,26H,3H2,1-2H3
InChIKeyMWMSHUQTYMBYTB-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.26
Rot. Bonds5

About (5-ethoxy-1-methylbenzimidazol-2-yl)-diphenylmethanol

(5-ethoxy-1-methylbenzimidazol-2-yl)-diphenylmethanol (PubChem CID 126726424) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (5-ethoxy-1-methylbenzimidazol-2-yl)-diphenylmethanol.

Molecular Properties

Compound Name(5-ethoxy-1-methylbenzimidazol-2-yl)-diphenylmethanol
PubChem CID126726424
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(5-ethoxy-1-methylbenzimidazol-2-yl)-diphenylmethanol
SMILESCCOc1ccc2c(c1)nc(C(O)(c1ccccc1)c1ccccc1)n2C
InChIInChI=1S/C23H22N2O2/c1-3-27-19-14-15-21-20(16-19)24-22(25(21)2)23(26,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,26H,3H2,1-2H3
InChIKeyMWMSHUQTYMBYTB-UHFFFAOYSA-N
XLogP4.26
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-1-methylbenzimidazol-2-yl)-diphenylmethanol?
The IUPAC name of (5-ethoxy-1-methylbenzimidazol-2-yl)-diphenylmethanol (CID 126726424) is (5-ethoxy-1-methylbenzimidazol-2-yl)-diphenylmethanol.
What is the SMILES notation for (5-ethoxy-1-methylbenzimidazol-2-yl)-diphenylmethanol?
The canonical SMILES for (5-ethoxy-1-methylbenzimidazol-2-yl)-diphenylmethanol is CCOc1ccc2c(c1)nc(C(O)(c1ccccc1)c1ccccc1)n2C.
What is the InChIKey of (5-ethoxy-1-methylbenzimidazol-2-yl)-diphenylmethanol?
The InChIKey is MWMSHUQTYMBYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-3-27-19-14-15-21-20(16-19)24-22(25(21)2)23(26,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,26H,3H2,1-2H3.
What are the key properties of (5-ethoxy-1-methylbenzimidazol-2-yl)-diphenylmethanol?
(5-ethoxy-1-methylbenzimidazol-2-yl)-diphenylmethanol has a molecular weight of 358.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-1-methylbenzimidazol-2-yl)-diphenylmethanol is sourced from PubChem (CID 126726424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).