1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol

C17H18F3N3O2 — CID 166736392

IUPAC1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol
SMILESCC1=CC(c2ccc3ncn(CCOC(F)(F)F)c3c2)=CN(C)C1O
InChIInChI=1S/C17H18F3N3O2/c1-11-7-13(9-22(2)16(11)24)12-3-4-14-15(8-12)23(10-21-14)5-6-25-17(18,19)20/h3-4,7-10,16,24H,5-6H2,1-2H3
InChIKeyIHAUXDHTLUVQIP-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.12
Rot. Bonds4

About 1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol

1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol (PubChem CID 166736392) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol
PubChem CID166736392
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol
SMILESCC1=CC(c2ccc3ncn(CCOC(F)(F)F)c3c2)=CN(C)C1O
InChIInChI=1S/C17H18F3N3O2/c1-11-7-13(9-22(2)16(11)24)12-3-4-14-15(8-12)23(10-21-14)5-6-25-17(18,19)20/h3-4,7-10,16,24H,5-6H2,1-2H3
InChIKeyIHAUXDHTLUVQIP-UHFFFAOYSA-N
XLogP3.12
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol?
The IUPAC name of 1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol (CID 166736392) is 1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol.
What is the SMILES notation for 1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol?
The canonical SMILES for 1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol is CC1=CC(c2ccc3ncn(CCOC(F)(F)F)c3c2)=CN(C)C1O.
What is the InChIKey of 1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol?
The InChIKey is IHAUXDHTLUVQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-11-7-13(9-22(2)16(11)24)12-3-4-14-15(8-12)23(10-21-14)5-6-25-17(18,19)20/h3-4,7-10,16,24H,5-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol?
1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol has a molecular weight of 353.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-2H-pyridin-2-ol is sourced from PubChem (CID 166736392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).