(1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol

C25H26N2O — CID 118516006

IUPAC(1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol
SMILESCCCc1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c2c1
InChIInChI=1S/C25H26N2O/c1-3-11-19-16-17-22-23(18-19)27(4-2)24(26-22)25(28,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-18,28H,3-4,11H2,1-2H3
InChIKeyYROVUNJYFLHCJV-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.29
Rot. Bonds6

About (1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol

(1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol (PubChem CID 118516006) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is (1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol.

Molecular Properties

Compound Name(1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol
PubChem CID118516006
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name(1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol
SMILESCCCc1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c2c1
InChIInChI=1S/C25H26N2O/c1-3-11-19-16-17-22-23(18-19)27(4-2)24(26-22)25(28,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-18,28H,3-4,11H2,1-2H3
InChIKeyYROVUNJYFLHCJV-UHFFFAOYSA-N
XLogP5.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol?
The IUPAC name of (1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol (CID 118516006) is (1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol.
What is the SMILES notation for (1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol?
The canonical SMILES for (1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol is CCCc1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c2c1.
What is the InChIKey of (1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol?
The InChIKey is YROVUNJYFLHCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-3-11-19-16-17-22-23(18-19)27(4-2)24(26-22)25(28,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-18,28H,3-4,11H2,1-2H3.
What are the key properties of (1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol?
(1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol has a molecular weight of 370.50 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol is sourced from PubChem (CID 118516006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).