2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline

C15H12Cl3N3 — CID 43759055

IUPAC2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
SMILESCc1nc2ccccn2c1CNc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3N3/c1-9-14(21-5-3-2-4-15(21)20-9)8-19-13-7-11(17)10(16)6-12(13)18/h2-7,19H,8H2,1H3
InChIKeyGUSBFUZFUADGEA-UHFFFAOYSA-N
MW340.64 g/mol
LogP5.22
Rot. Bonds3

About 2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline

2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline (PubChem CID 43759055) has the molecular formula C15H12Cl3N3 and a molecular weight of 340.64 g/mol. Its IUPAC name is 2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline.

Molecular Properties

Compound Name2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
PubChem CID43759055
Molecular FormulaC15H12Cl3N3
Molecular Weight340.64 g/mol
Exact Mass339.01
IUPAC Name2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
SMILESCc1nc2ccccn2c1CNc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3N3/c1-9-14(21-5-3-2-4-15(21)20-9)8-19-13-7-11(17)10(16)6-12(13)18/h2-7,19H,8H2,1H3
InChIKeyGUSBFUZFUADGEA-UHFFFAOYSA-N
XLogP5.22
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43764503
2-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43763308
4-bromo-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43758785
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-propan-2-ylaniline
CID 43760553
2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43772487
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-2-amine
CID 84758728
5-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-3-amine
CID 103823924
1-(2-chlorophenyl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 43767340
3-bromo-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzonitrile
CID 43786518
6-bromo-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-3-amine
CID 103934296
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 43760891
2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pentan-2-amine
CID 115694989

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The IUPAC name of 2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline (CID 43759055) is 2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline.
What is the SMILES notation for 2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The canonical SMILES for 2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline is Cc1nc2ccccn2c1CNc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The InChIKey is GUSBFUZFUADGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N3/c1-9-14(21-5-3-2-4-15(21)20-9)8-19-13-7-11(17)10(16)6-12(13)18/h2-7,19H,8H2,1H3.
What are the key properties of 2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline has a molecular weight of 340.64 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline is sourced from PubChem (CID 43759055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).