(E)-1-(3,4-dichlorophenyl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methoxypropan-1-imine

C16H14Cl2N4O — CID 58436828

IUPAC(E)-1-(3,4-dichlorophenyl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methoxypropan-1-imine
SMILESCO/N=C(\CCc1nc2ccncc2[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N4O/c1-23-22-13(10-2-3-11(17)12(18)8-10)4-5-16-20-14-6-7-19-9-15(14)21-16/h2-3,6-9H,4-5H2,1H3,(H,20,21)/b22-13+
InChIKeyFBTMNWDRPYNOFH-LPYMAVHISA-N
MW349.22 g/mol
LogP4.25
Rot. Bonds5

About (E)-1-(3,4-dichlorophenyl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methoxypropan-1-imine

(E)-1-(3,4-dichlorophenyl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methoxypropan-1-imine (PubChem CID 58436828) has the molecular formula C16H14Cl2N4O and a molecular weight of 349.22 g/mol. Its IUPAC name is (E)-1-(3,4-dichlorophenyl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methoxypropan-1-imine.

Molecular Properties

Compound Name(E)-1-(3,4-dichlorophenyl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methoxypropan-1-imine
PubChem CID58436828
Molecular FormulaC16H14Cl2N4O
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC Name(E)-1-(3,4-dichlorophenyl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methoxypropan-1-imine
SMILESCO/N=C(\CCc1nc2ccncc2[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N4O/c1-23-22-13(10-2-3-11(17)12(18)8-10)4-5-16-20-14-6-7-19-9-15(14)21-16/h2-3,6-9H,4-5H2,1H3,(H,20,21)/b22-13+
InChIKeyFBTMNWDRPYNOFH-LPYMAVHISA-N
XLogP4.25
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methylpropan-1-amine
CID 63268455
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one
CID 58436870
4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide
CID 75083596
2,4-dichloro-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)benzamide
CID 117074975
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one
CID 58436822
(E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine
CID 52540048
(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide
CID 45101354
3-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methoxypropan-1-amine
CID 103153991
3-(3H-imidazo[4,5-c]pyridin-2-yl)-1-[3-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 167978497
(5E)-5-(3,4-dichlorophenyl)-1-(2,4-dimethyl-3-pyridinyl)-5-methoxyiminopentan-2-one
CID 58436802
5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one
CID 76785955
2-(2-cyclopentylethyl)-3H-imidazo[4,5-c]pyridine
CID 63268959

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dichlorophenyl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methoxypropan-1-imine?
The IUPAC name of (E)-1-(3,4-dichlorophenyl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methoxypropan-1-imine (CID 58436828) is (E)-1-(3,4-dichlorophenyl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methoxypropan-1-imine.
What is the SMILES notation for (E)-1-(3,4-dichlorophenyl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methoxypropan-1-imine?
The canonical SMILES for (E)-1-(3,4-dichlorophenyl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methoxypropan-1-imine is CO/N=C(\CCc1nc2ccncc2[nH]1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-1-(3,4-dichlorophenyl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methoxypropan-1-imine?
The InChIKey is FBTMNWDRPYNOFH-LPYMAVHISA-N. The full InChI is InChI=1S/C16H14Cl2N4O/c1-23-22-13(10-2-3-11(17)12(18)8-10)4-5-16-20-14-6-7-19-9-15(14)21-16/h2-3,6-9H,4-5H2,1H3,(H,20,21)/b22-13+.
What are the key properties of (E)-1-(3,4-dichlorophenyl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methoxypropan-1-imine?
(E)-1-(3,4-dichlorophenyl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methoxypropan-1-imine has a molecular weight of 349.22 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dichlorophenyl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methoxypropan-1-imine is sourced from PubChem (CID 58436828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).