4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile

C23H16N4O2 — CID 23658310

IUPAC4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile
SMILESCc1cccc(-c2nc(-c3ccc(C#N)cc3)cn2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C23H16N4O2/c1-15-3-2-4-19(25-15)23-26-20(17-7-5-16(12-24)6-8-17)13-27(23)18-9-10-21-22(11-18)29-14-28-21/h2-11,13H,14H2,1H3
InChIKeySEQITLLMQWJYAN-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.51
Rot. Bonds3

About 4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile

4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile (PubChem CID 23658310) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile
PubChem CID23658310
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile
SMILESCc1cccc(-c2nc(-c3ccc(C#N)cc3)cn2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C23H16N4O2/c1-15-3-2-4-19(25-15)23-26-20(17-7-5-16(12-24)6-8-17)13-27(23)18-9-10-21-22(11-18)29-14-28-21/h2-11,13H,14H2,1H3
InChIKeySEQITLLMQWJYAN-UHFFFAOYSA-N
XLogP4.51
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile
CID 143499796
4-[5-(1,3-benzodioxol-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]benzonitrile
CID 45272029
4-(1,2-diphenylimidazol-4-yl)benzonitrile
CID 134854362
4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzonitrile
CID 141141743
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)benzonitrile
CID 30333496
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole-5-carbonitrile
CID 65035421
4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)benzonitrile;hydrochloride
CID 42997555
2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile
CID 5120562
4-(1,3-benzodioxol-5-yl)-2-methyl-5-(6-methyl-2-pyridinyl)-1,3-thiazole
CID 68885515
4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104677046
4-[[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yltriazol-2-yl]methyl]benzonitrile
CID 142669585

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile?
The IUPAC name of 4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile (CID 23658310) is 4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile?
The canonical SMILES for 4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile is Cc1cccc(-c2nc(-c3ccc(C#N)cc3)cn2-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile?
The InChIKey is SEQITLLMQWJYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c1-15-3-2-4-19(25-15)23-26-20(17-7-5-16(12-24)6-8-17)13-27(23)18-9-10-21-22(11-18)29-14-28-21/h2-11,13H,14H2,1H3.
What are the key properties of 4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile?
4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile has a molecular weight of 380.41 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile is sourced from PubChem (CID 23658310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).