3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline

C15H16N4 — CID 115339631

IUPAC3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
SMILESCn1c(CCc2cccc(N)c2)nc2cnccc21
InChIInChI=1S/C15H16N4/c1-19-14-7-8-17-10-13(14)18-15(19)6-5-11-3-2-4-12(16)9-11/h2-4,7-10H,5-6,16H2,1H3
InChIKeyGTZAXEHEOJQSFB-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.34
Rot. Bonds3

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

3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline (PubChem CID 115339631) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
PubChem CID115339631
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
SMILESCn1c(CCc2cccc(N)c2)nc2cnccc21
InChIInChI=1S/C15H16N4/c1-19-14-7-8-17-10-13(14)18-15(19)6-5-11-3-2-4-12(16)9-11/h2-4,7-10H,5-6,16H2,1H3
InChIKeyGTZAXEHEOJQSFB-UHFFFAOYSA-N
XLogP2.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline
CID 115339576
2-butyl-1-methylimidazo[4,5-c]pyridine
CID 150484060
4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
CID 115339636
4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one
CID 83857986
4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
CID 115339638
3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline
CID 115339584
5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine
CID 114003749
[3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine
CID 104712932
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
2-butyl-1-methylbenzimidazol-5-amine
CID 58382812
4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine
CID 18694804
2-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)phenyl]ethanamine
CID 114793319

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline?
The IUPAC name of 3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline (CID 115339631) is 3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline.
What is the SMILES notation for 3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline?
The canonical SMILES for 3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline is Cn1c(CCc2cccc(N)c2)nc2cnccc21.
What is the InChIKey of 3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline?
The InChIKey is GTZAXEHEOJQSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-19-14-7-8-17-10-13(14)18-15(19)6-5-11-3-2-4-12(16)9-11/h2-4,7-10H,5-6,16H2,1H3.
What are the key properties of 3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline?
3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline has a molecular weight of 252.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline is sourced from PubChem (CID 115339631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).