7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C14H11F3N4O — CID 134263451

IUPAC7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESNCc1ccc(-c2ccnc3[nH]c(=O)[nH]c23)cc1C(F)(F)F
InChIInChI=1S/C14H11F3N4O/c15-14(16,17)10-5-7(1-2-8(10)6-18)9-3-4-19-12-11(9)20-13(22)21-12/h1-5H,6,18H2,(H2,19,20,21,22)
InChIKeyNYQIFRSWWXQUFQ-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.40
Rot. Bonds2

About 7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 134263451) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID134263451
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESNCc1ccc(-c2ccnc3[nH]c(=O)[nH]c23)cc1C(F)(F)F
InChIInChI=1S/C14H11F3N4O/c15-14(16,17)10-5-7(1-2-8(10)6-18)9-3-4-19-12-11(9)20-13(22)21-12/h1-5H,6,18H2,(H2,19,20,21,22)
InChIKeyNYQIFRSWWXQUFQ-UHFFFAOYSA-N
XLogP2.40
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 134263451) is 7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is NCc1ccc(-c2ccnc3[nH]c(=O)[nH]c23)cc1C(F)(F)F.
What is the InChIKey of 7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is NYQIFRSWWXQUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c15-14(16,17)10-5-7(1-2-8(10)6-18)9-3-4-19-12-11(9)20-13(22)21-12/h1-5H,6,18H2,(H2,19,20,21,22).
What are the key properties of 7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 308.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134263451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).