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

C17H20N4 — CID 115339636

IUPAC4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
SMILESCCCn1c(CCc2ccc(N)cc2)nc2cnccc21
InChIInChI=1S/C17H20N4/c1-2-11-21-16-9-10-19-12-15(16)20-17(21)8-5-13-3-6-14(18)7-4-13/h3-4,6-7,9-10,12H,2,5,8,11,18H2,1H3
InChIKeyZKQIJHCILVTQAG-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.21
Rot. Bonds5

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

4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline (PubChem CID 115339636) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
PubChem CID115339636
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
SMILESCCCn1c(CCc2ccc(N)cc2)nc2cnccc21
InChIInChI=1S/C17H20N4/c1-2-11-21-16-9-10-19-12-15(16)20-17(21)8-5-13-3-6-14(18)7-4-13/h3-4,6-7,9-10,12H,2,5,8,11,18H2,1H3
InChIKeyZKQIJHCILVTQAG-UHFFFAOYSA-N
XLogP3.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
CID 115339638
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine
CID 62506716
3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
CID 115339631
2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine
CID 79273930
3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline
CID 107793644
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine
CID 79292917
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethyl-N-methylethanamine
CID 79292261
2-butyl-1-methylimidazo[4,5-c]pyridine
CID 150484060
3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine
CID 66444646
4-[(5-methyl-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60784514
4-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60785014

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline?
The IUPAC name of 4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline (CID 115339636) is 4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline.
What is the SMILES notation for 4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline?
The canonical SMILES for 4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline is CCCn1c(CCc2ccc(N)cc2)nc2cnccc21.
What is the InChIKey of 4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline?
The InChIKey is ZKQIJHCILVTQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-11-21-16-9-10-19-12-15(16)20-17(21)8-5-13-3-6-14(18)7-4-13/h3-4,6-7,9-10,12H,2,5,8,11,18H2,1H3.
What are the key properties of 4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline?
4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline has a molecular weight of 280.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline is sourced from PubChem (CID 115339636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).