6-amino-7-benzyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride

C13H13ClN4O — CID 67765048

IUPAC6-amino-7-benzyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride
SMILESCl.Nc1[nH]c(=O)c2[nH]cnc2c1Cc1ccccc1
InChIInChI=1S/C13H12N4O.ClH/c14-12-9(6-8-4-2-1-3-5-8)10-11(13(18)17-12)16-7-15-10;/h1-5,7H,6H2,(H,15,16)(H3,14,17,18);1H
InChIKeyKIAFZCHQHTYOQU-UHFFFAOYSA-N
MW276.73 g/mol
LogP1.85
Rot. Bonds2

About 6-amino-7-benzyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride

6-amino-7-benzyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride (PubChem CID 67765048) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 6-amino-7-benzyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name6-amino-7-benzyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride
PubChem CID67765048
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name6-amino-7-benzyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride
SMILESCl.Nc1[nH]c(=O)c2[nH]cnc2c1Cc1ccccc1
InChIInChI=1S/C13H12N4O.ClH/c14-12-9(6-8-4-2-1-3-5-8)10-11(13(18)17-12)16-7-15-10;/h1-5,7H,6H2,(H,15,16)(H3,14,17,18);1H
InChIKeyKIAFZCHQHTYOQU-UHFFFAOYSA-N
XLogP1.85
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-benzyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride?
The IUPAC name of 6-amino-7-benzyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride (CID 67765048) is 6-amino-7-benzyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride.
What is the SMILES notation for 6-amino-7-benzyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride?
The canonical SMILES for 6-amino-7-benzyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride is Cl.Nc1[nH]c(=O)c2[nH]cnc2c1Cc1ccccc1.
What is the InChIKey of 6-amino-7-benzyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride?
The InChIKey is KIAFZCHQHTYOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O.ClH/c14-12-9(6-8-4-2-1-3-5-8)10-11(13(18)17-12)16-7-15-10;/h1-5,7H,6H2,(H,15,16)(H3,14,17,18);1H.
What are the key properties of 6-amino-7-benzyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride?
6-amino-7-benzyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride has a molecular weight of 276.73 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-benzyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride is sourced from PubChem (CID 67765048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).