4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol

C19H18ClN3O2 — CID 66699841

IUPAC4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol
SMILESCC1(C)Oc2ccncc2C(n2ccnc2-c2ccc(Cl)cc2)C1O
InChIInChI=1S/C19H18ClN3O2/c1-19(2)17(24)16(14-11-21-8-7-15(14)25-19)23-10-9-22-18(23)12-3-5-13(20)6-4-12/h3-11,16-17,24H,1-2H3
InChIKeyKEBNCYBRJLVJSM-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.72
Rot. Bonds2

About 4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol

4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol (PubChem CID 66699841) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol
PubChem CID66699841
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol
SMILESCC1(C)Oc2ccncc2C(n2ccnc2-c2ccc(Cl)cc2)C1O
InChIInChI=1S/C19H18ClN3O2/c1-19(2)17(24)16(14-11-21-8-7-15(14)25-19)23-10-9-22-18(23)12-3-5-13(20)6-4-12/h3-11,16-17,24H,1-2H3
InChIKeyKEBNCYBRJLVJSM-UHFFFAOYSA-N
XLogP3.72
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol?
The IUPAC name of 4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol (CID 66699841) is 4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol.
What is the SMILES notation for 4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol?
The canonical SMILES for 4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol is CC1(C)Oc2ccncc2C(n2ccnc2-c2ccc(Cl)cc2)C1O.
What is the InChIKey of 4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol?
The InChIKey is KEBNCYBRJLVJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-19(2)17(24)16(14-11-21-8-7-15(14)25-19)23-10-9-22-18(23)12-3-5-13(20)6-4-12/h3-11,16-17,24H,1-2H3.
What are the key properties of 4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol?
4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol has a molecular weight of 355.83 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)imidazol-1-yl]-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-3-ol is sourced from PubChem (CID 66699841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).