4-[1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol

C20H15F2N3O2 — CID 164623995

IUPAC4-[1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-c1cc2c(cn1)ncn2-c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H15F2N3O2/c1-12-8-14(26)4-7-16(12)17-9-19-18(10-23-17)24-11-25(19)13-2-5-15(6-3-13)27-20(21)22/h2-11,20,26H,1H3
InChIKeyHAPWSJBAQMRLQU-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.70
Rot. Bonds4

About 4-[1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol

4-[1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol (PubChem CID 164623995) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 4-[1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol.

Molecular Properties

Compound Name4-[1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol
PubChem CID164623995
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name4-[1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-c1cc2c(cn1)ncn2-c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H15F2N3O2/c1-12-8-14(26)4-7-16(12)17-9-19-18(10-23-17)24-11-25(19)13-2-5-15(6-3-13)27-20(21)22/h2-11,20,26H,1H3
InChIKeyHAPWSJBAQMRLQU-UHFFFAOYSA-N
XLogP4.70
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol?
The IUPAC name of 4-[1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol (CID 164623995) is 4-[1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol.
What is the SMILES notation for 4-[1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol?
The canonical SMILES for 4-[1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol is Cc1cc(O)ccc1-c1cc2c(cn1)ncn2-c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol?
The InChIKey is HAPWSJBAQMRLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c1-12-8-14(26)4-7-16(12)17-9-19-18(10-23-17)24-11-25(19)13-2-5-15(6-3-13)27-20(21)22/h2-11,20,26H,1H3.
What are the key properties of 4-[1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol?
4-[1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol has a molecular weight of 367.36 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol is sourced from PubChem (CID 164623995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).