4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine

C18H22N4 — CID 15171514

IUPAC4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine
SMILESCNc1ccc(CCc2nc3cc(C)ccn3c2C)cc1N
InChIInChI=1S/C18H22N4/c1-12-8-9-22-13(2)16(21-18(22)10-12)6-4-14-5-7-17(20-3)15(19)11-14/h5,7-11,20H,4,6,19H2,1-3H3
InChIKeyGVAHRRUNVKNMRP-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.36
Rot. Bonds4

About 4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine

4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine (PubChem CID 15171514) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine
PubChem CID15171514
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine
SMILESCNc1ccc(CCc2nc3cc(C)ccn3c2C)cc1N
InChIInChI=1S/C18H22N4/c1-12-8-9-22-13(2)16(21-18(22)10-12)6-4-14-5-7-17(20-3)15(19)11-14/h5,7-11,20H,4,6,19H2,1-3H3
InChIKeyGVAHRRUNVKNMRP-UHFFFAOYSA-N
XLogP3.36
TPSA55.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine (CID 15171514) is 4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine is CNc1ccc(CCc2nc3cc(C)ccn3c2C)cc1N.
What is the InChIKey of 4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine?
The InChIKey is GVAHRRUNVKNMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-12-8-9-22-13(2)16(21-18(22)10-12)6-4-14-5-7-17(20-3)15(19)11-14/h5,7-11,20H,4,6,19H2,1-3H3.
What are the key properties of 4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine?
4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine has a molecular weight of 294.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 15171514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).