5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine

C13H13N5 — CID 114003749

IUPAC5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine
SMILESCn1c(-c2cc(N)cc(N)c2)nc2cnccc21
InChIInChI=1S/C13H13N5/c1-18-12-2-3-16-7-11(12)17-13(18)8-4-9(14)6-10(15)5-8/h2-7H,14-15H2,1H3
InChIKeyAWUBIRWUHXRBCI-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.80
Rot. Bonds1

About 5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine

5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine (PubChem CID 114003749) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine
PubChem CID114003749
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine
SMILESCn1c(-c2cc(N)cc(N)c2)nc2cnccc21
InChIInChI=1S/C13H13N5/c1-18-12-2-3-16-7-11(12)17-13(18)8-4-9(14)6-10(15)5-8/h2-7H,14-15H2,1H3
InChIKeyAWUBIRWUHXRBCI-UHFFFAOYSA-N
XLogP1.80
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol
CID 162531082
2-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,4-diol
CID 136903815
2-(1H-indol-2-yl)-1-methylimidazo[4,5-c]pyridine
CID 135580108
3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
CID 115339631
(1R)-2-methyl-1-(1-methylimidazo[4,5-c]pyridin-2-yl)propan-1-amine
CID 97005114
3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline
CID 107793644
2-(1H-indol-3-yl)-1-methylimidazo[4,5-c]pyridine
CID 3377519
5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole
CID 10966745
ethane;1-methylpyrrolo[3,2-c]pyridin-2-amine
CID 142426543
2-(4-bromophenyl)-1-methylbenzimidazol-5-amine
CID 83969010
2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine
CID 167895828
4-(2-methylimidazo[4,5-c]pyridin-1-yl)butan-1-amine
CID 19864517

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine?
The IUPAC name of 5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine (CID 114003749) is 5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine?
The canonical SMILES for 5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine is Cn1c(-c2cc(N)cc(N)c2)nc2cnccc21.
What is the InChIKey of 5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine?
The InChIKey is AWUBIRWUHXRBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18-12-2-3-16-7-11(12)17-13(18)8-4-9(14)6-10(15)5-8/h2-7H,14-15H2,1H3.
What are the key properties of 5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine?
5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine has a molecular weight of 239.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 114003749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).