4-[2-[6-(3,5-dichloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile

C22H15Cl2N5O — CID 18779726

IUPAC4-[2-[6-(3,5-dichloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile
SMILESN#Cc1ccc(C(Cc2ccc(-n3cc(Cl)cc(Cl)c3=O)nc2)c2ncc[nH]2)cc1
InChIInChI=1S/C22H15Cl2N5O/c23-17-10-19(24)22(30)29(13-17)20-6-3-15(12-28-20)9-18(21-26-7-8-27-21)16-4-1-14(11-25)2-5-16/h1-8,10,12-13,18H,9H2,(H,26,27)
InChIKeyMUFPVDYNRBKRLQ-UHFFFAOYSA-N
MW436.30 g/mol
LogP4.51
Rot. Bonds5

About 4-[2-[6-(3,5-dichloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile

4-[2-[6-(3,5-dichloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile (PubChem CID 18779726) has the molecular formula C22H15Cl2N5O and a molecular weight of 436.30 g/mol. Its IUPAC name is 4-[2-[6-(3,5-dichloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[6-(3,5-dichloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile
PubChem CID18779726
Molecular FormulaC22H15Cl2N5O
Molecular Weight436.30 g/mol
Exact Mass435.07
IUPAC Name4-[2-[6-(3,5-dichloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile
SMILESN#Cc1ccc(C(Cc2ccc(-n3cc(Cl)cc(Cl)c3=O)nc2)c2ncc[nH]2)cc1
InChIInChI=1S/C22H15Cl2N5O/c23-17-10-19(24)22(30)29(13-17)20-6-3-15(12-28-20)9-18(21-26-7-8-27-21)16-4-1-14(11-25)2-5-16/h1-8,10,12-13,18H,9H2,(H,26,27)
InChIKeyMUFPVDYNRBKRLQ-UHFFFAOYSA-N
XLogP4.51
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(3,5-dichloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile?
The IUPAC name of 4-[2-[6-(3,5-dichloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile (CID 18779726) is 4-[2-[6-(3,5-dichloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile.
What is the SMILES notation for 4-[2-[6-(3,5-dichloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile?
The canonical SMILES for 4-[2-[6-(3,5-dichloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile is N#Cc1ccc(C(Cc2ccc(-n3cc(Cl)cc(Cl)c3=O)nc2)c2ncc[nH]2)cc1.
What is the InChIKey of 4-[2-[6-(3,5-dichloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile?
The InChIKey is MUFPVDYNRBKRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N5O/c23-17-10-19(24)22(30)29(13-17)20-6-3-15(12-28-20)9-18(21-26-7-8-27-21)16-4-1-14(11-25)2-5-16/h1-8,10,12-13,18H,9H2,(H,26,27).
What are the key properties of 4-[2-[6-(3,5-dichloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile?
4-[2-[6-(3,5-dichloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile has a molecular weight of 436.30 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(3,5-dichloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile is sourced from PubChem (CID 18779726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).