4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile

C23H18ClN5O2 — CID 18779691

IUPAC4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile
SMILESCOC(c1ccc(C#N)cc1)c1cncn1Cc1ccc(-n2cc(Cl)ccc2=O)nc1
InChIInChI=1S/C23H18ClN5O2/c1-31-23(18-5-2-16(10-25)3-6-18)20-12-26-15-28(20)13-17-4-8-21(27-11-17)29-14-19(24)7-9-22(29)30/h2-9,11-12,14-15,23H,13H2,1H3
InChIKeyZKVUBWQBJLUHLX-UHFFFAOYSA-N
MW431.88 g/mol
LogP3.74
Rot. Bonds6

About 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile

4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile (PubChem CID 18779691) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile
PubChem CID18779691
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC Name4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile
SMILESCOC(c1ccc(C#N)cc1)c1cncn1Cc1ccc(-n2cc(Cl)ccc2=O)nc1
InChIInChI=1S/C23H18ClN5O2/c1-31-23(18-5-2-16(10-25)3-6-18)20-12-26-15-28(20)13-17-4-8-21(27-11-17)29-14-19(24)7-9-22(29)30/h2-9,11-12,14-15,23H,13H2,1H3
InChIKeyZKVUBWQBJLUHLX-UHFFFAOYSA-N
XLogP3.74
TPSA85.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile?
The IUPAC name of 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile (CID 18779691) is 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile.
What is the SMILES notation for 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile?
The canonical SMILES for 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile is COC(c1ccc(C#N)cc1)c1cncn1Cc1ccc(-n2cc(Cl)ccc2=O)nc1.
What is the InChIKey of 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile?
The InChIKey is ZKVUBWQBJLUHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c1-31-23(18-5-2-16(10-25)3-6-18)20-12-26-15-28(20)13-17-4-8-21(27-11-17)29-14-19(24)7-9-22(29)30/h2-9,11-12,14-15,23H,13H2,1H3.
What are the key properties of 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile?
4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile has a molecular weight of 431.88 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile is sourced from PubChem (CID 18779691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).