2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline

C23H22N4O — CID 163368568

IUPAC2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline
SMILES[H]/N=C/c1cc(-c2ccc3ncc(-c4ccc(OC(C)C)cc4)n3c2)ccc1N
InChIInChI=1S/C23H22N4O/c1-15(2)28-20-7-3-16(4-8-20)22-13-26-23-10-6-18(14-27(22)23)17-5-9-21(25)19(11-17)12-24/h3-15,24H,25H2,1-2H3/b24-12+
InChIKeyHVZBAAYOCBPSMM-WYMPLXKRSA-N
MW370.46 g/mol
LogP5.04
Rot. Bonds5

About 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline

2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline (PubChem CID 163368568) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline.

Molecular Properties

Compound Name2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline
PubChem CID163368568
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline
SMILES[H]/N=C/c1cc(-c2ccc3ncc(-c4ccc(OC(C)C)cc4)n3c2)ccc1N
InChIInChI=1S/C23H22N4O/c1-15(2)28-20-7-3-16(4-8-20)22-13-26-23-10-6-18(14-27(22)23)17-5-9-21(25)19(11-17)12-24/h3-15,24H,25H2,1-2H3/b24-12+
InChIKeyHVZBAAYOCBPSMM-WYMPLXKRSA-N
XLogP5.04
TPSA76.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline?
The IUPAC name of 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline (CID 163368568) is 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline.
What is the SMILES notation for 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline?
The canonical SMILES for 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline is [H]/N=C/c1cc(-c2ccc3ncc(-c4ccc(OC(C)C)cc4)n3c2)ccc1N.
What is the InChIKey of 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline?
The InChIKey is HVZBAAYOCBPSMM-WYMPLXKRSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15(2)28-20-7-3-16(4-8-20)22-13-26-23-10-6-18(14-27(22)23)17-5-9-21(25)19(11-17)12-24/h3-15,24H,25H2,1-2H3/b24-12+.
What are the key properties of 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline?
2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline has a molecular weight of 370.46 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline is sourced from PubChem (CID 163368568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).