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

C17H20N4 — CID 115339638

IUPAC4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
SMILESCC(C)n1c(CCc2ccc(N)cc2)nc2cnccc21
InChIInChI=1S/C17H20N4/c1-12(2)21-16-9-10-19-11-15(16)20-17(21)8-5-13-3-6-14(18)7-4-13/h3-4,6-7,9-12H,5,8,18H2,1-2H3
InChIKeyHPLOXIGWZDUWQQ-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.38
Rot. Bonds4

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

4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline (PubChem CID 115339638) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
PubChem CID115339638
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
SMILESCC(C)n1c(CCc2ccc(N)cc2)nc2cnccc21
InChIInChI=1S/C17H20N4/c1-12(2)21-16-9-10-19-11-15(16)20-17(21)8-5-13-3-6-14(18)7-4-13/h3-4,6-7,9-12H,5,8,18H2,1-2H3
InChIKeyHPLOXIGWZDUWQQ-UHFFFAOYSA-N
XLogP3.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.38
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-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
CID 115339636
2-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethanol
CID 83858384
(1R)-1-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethanamine
CID 97005120
2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine
CID 130597330
2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid
CID 113427895
3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
CID 115339631
1-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-2-amine
CID 79296071
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82333475
2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine
CID 79273060
2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)butan-2-amine
CID 79798297
4-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pentan-1-amine
CID 104683368
3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 80515131

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline?
The IUPAC name of 4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline (CID 115339638) is 4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline.
What is the SMILES notation for 4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline?
The canonical SMILES for 4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline is CC(C)n1c(CCc2ccc(N)cc2)nc2cnccc21.
What is the InChIKey of 4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline?
The InChIKey is HPLOXIGWZDUWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12(2)21-16-9-10-19-11-15(16)20-17(21)8-5-13-3-6-14(18)7-4-13/h3-4,6-7,9-12H,5,8,18H2,1-2H3.
What are the key properties of 4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline?
4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline has a molecular weight of 280.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline is sourced from PubChem (CID 115339638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).