1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one

C19H14FN3O2 — CID 145296034

IUPAC1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1c(F)cccc1Oc1ccc(-n2c(=O)[nH]c3cnccc32)cc1
InChIInChI=1S/C19H14FN3O2/c1-12-15(20)3-2-4-18(12)25-14-7-5-13(6-8-14)23-17-9-10-21-11-16(17)22-19(23)24/h2-11H,1H3,(H,22,24)
InChIKeyMNDJPEAMSMQMEA-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.95
Rot. Bonds3

About 1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one

1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 145296034) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID145296034
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1c(F)cccc1Oc1ccc(-n2c(=O)[nH]c3cnccc32)cc1
InChIInChI=1S/C19H14FN3O2/c1-12-15(20)3-2-4-18(12)25-14-7-5-13(6-8-14)23-17-9-10-21-11-16(17)22-19(23)24/h2-11H,1H3,(H,22,24)
InChIKeyMNDJPEAMSMQMEA-UHFFFAOYSA-N
XLogP3.95
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one (CID 145296034) is 1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one is Cc1c(F)cccc1Oc1ccc(-n2c(=O)[nH]c3cnccc32)cc1.
What is the InChIKey of 1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is MNDJPEAMSMQMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c1-12-15(20)3-2-4-18(12)25-14-7-5-13(6-8-14)23-17-9-10-21-11-16(17)22-19(23)24/h2-11H,1H3,(H,22,24).
What are the key properties of 1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one?
1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 335.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-2-methylphenoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 145296034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).