3-chloro-2-N-[2-(2-chlorophenyl)-5-ethylimidazo[1,2-a]pyridin-3-yl]benzene-1,2-diamine

C21H18Cl2N4 — CID 143803791

IUPAC3-chloro-2-N-[2-(2-chlorophenyl)-5-ethylimidazo[1,2-a]pyridin-3-yl]benzene-1,2-diamine
SMILESCCc1cccc2nc(-c3ccccc3Cl)c(Nc3c(N)cccc3Cl)n12
InChIInChI=1S/C21H18Cl2N4/c1-2-13-7-5-12-18-25-19(14-8-3-4-9-15(14)22)21(27(13)18)26-20-16(23)10-6-11-17(20)24/h3-12,26H,2,24H2,1H3
InChIKeyFHAVWSMPVPWZKA-UHFFFAOYSA-N
MW397.31 g/mol
LogP6.20
Rot. Bonds4

About 3-chloro-2-N-[2-(2-chlorophenyl)-5-ethylimidazo[1,2-a]pyridin-3-yl]benzene-1,2-diamine

3-chloro-2-N-[2-(2-chlorophenyl)-5-ethylimidazo[1,2-a]pyridin-3-yl]benzene-1,2-diamine (PubChem CID 143803791) has the molecular formula C21H18Cl2N4 and a molecular weight of 397.31 g/mol. Its IUPAC name is 3-chloro-2-N-[2-(2-chlorophenyl)-5-ethylimidazo[1,2-a]pyridin-3-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-[2-(2-chlorophenyl)-5-ethylimidazo[1,2-a]pyridin-3-yl]benzene-1,2-diamine
PubChem CID143803791
Molecular FormulaC21H18Cl2N4
Molecular Weight397.31 g/mol
Exact Mass396.09
IUPAC Name3-chloro-2-N-[2-(2-chlorophenyl)-5-ethylimidazo[1,2-a]pyridin-3-yl]benzene-1,2-diamine
SMILESCCc1cccc2nc(-c3ccccc3Cl)c(Nc3c(N)cccc3Cl)n12
InChIInChI=1S/C21H18Cl2N4/c1-2-13-7-5-12-18-25-19(14-8-3-4-9-15(14)22)21(27(13)18)26-20-16(23)10-6-11-17(20)24/h3-12,26H,2,24H2,1H3
InChIKeyFHAVWSMPVPWZKA-UHFFFAOYSA-N
XLogP6.20
TPSA55.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.31
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Chlorfenazole
CID 77123
6-(2-Chlorophenyl)benzo[4,5]imidazo[1,2-c]-quinazoline
CID 630151
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
1-(2-Chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 56933838
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814241
5-Chloro-1-(phenylmethyl)-2-piperazin-1-ylbenzimidazole
CID 10806082
N-(3-chloro-4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295764
4-(2-Chlorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 2998780
4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline
CID 774877
6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814240
1H-Benzimidazole, 2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]-
CID 3596016
3-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)-5-phenyl-pyrrol-2-amine
CID 71450630

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-[2-(2-chlorophenyl)-5-ethylimidazo[1,2-a]pyridin-3-yl]benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-[2-(2-chlorophenyl)-5-ethylimidazo[1,2-a]pyridin-3-yl]benzene-1,2-diamine (CID 143803791) is 3-chloro-2-N-[2-(2-chlorophenyl)-5-ethylimidazo[1,2-a]pyridin-3-yl]benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-[2-(2-chlorophenyl)-5-ethylimidazo[1,2-a]pyridin-3-yl]benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-[2-(2-chlorophenyl)-5-ethylimidazo[1,2-a]pyridin-3-yl]benzene-1,2-diamine is CCc1cccc2nc(-c3ccccc3Cl)c(Nc3c(N)cccc3Cl)n12.
What is the InChIKey of 3-chloro-2-N-[2-(2-chlorophenyl)-5-ethylimidazo[1,2-a]pyridin-3-yl]benzene-1,2-diamine?
The InChIKey is FHAVWSMPVPWZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4/c1-2-13-7-5-12-18-25-19(14-8-3-4-9-15(14)22)21(27(13)18)26-20-16(23)10-6-11-17(20)24/h3-12,26H,2,24H2,1H3.
What are the key properties of 3-chloro-2-N-[2-(2-chlorophenyl)-5-ethylimidazo[1,2-a]pyridin-3-yl]benzene-1,2-diamine?
3-chloro-2-N-[2-(2-chlorophenyl)-5-ethylimidazo[1,2-a]pyridin-3-yl]benzene-1,2-diamine has a molecular weight of 397.31 g/mol, XLogP of 6.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-[2-(2-chlorophenyl)-5-ethylimidazo[1,2-a]pyridin-3-yl]benzene-1,2-diamine is sourced from PubChem (CID 143803791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).