(6-cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol

C25H24N2O — CID 118519262

IUPAC(6-cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C3CC3)cc21
InChIInChI=1S/C25H24N2O/c1-2-27-23-17-19(18-13-14-18)15-16-22(23)26-24(27)25(28,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15-18,28H,2,13-14H2,1H3
InChIKeyXDPJWTKIWJDBAE-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.22
Rot. Bonds5

About (6-cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol

(6-cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol (PubChem CID 118519262) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is (6-cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol.

Molecular Properties

Compound Name(6-cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol
PubChem CID118519262
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name(6-cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C3CC3)cc21
InChIInChI=1S/C25H24N2O/c1-2-27-23-17-19(18-13-14-18)15-16-22(23)26-24(27)25(28,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15-18,28H,2,13-14H2,1H3
InChIKeyXDPJWTKIWJDBAE-UHFFFAOYSA-N
XLogP5.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol?
The IUPAC name of (6-cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol (CID 118519262) is (6-cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol.
What is the SMILES notation for (6-cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol?
The canonical SMILES for (6-cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C3CC3)cc21.
What is the InChIKey of (6-cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol?
The InChIKey is XDPJWTKIWJDBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-2-27-23-17-19(18-13-14-18)15-16-22(23)26-24(27)25(28,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15-18,28H,2,13-14H2,1H3.
What are the key properties of (6-cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol?
(6-cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol has a molecular weight of 368.48 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol is sourced from PubChem (CID 118519262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).