6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole

C18H14N4O2 — CID 10087230

IUPAC6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole
SMILESCc1cccc(-c2c(-c3ccc4c(c3)OCO4)[nH]c3nccn23)n1
InChIInChI=1S/C18H14N4O2/c1-11-3-2-4-13(20-11)17-16(21-18-19-7-8-22(17)18)12-5-6-14-15(9-12)24-10-23-14/h2-9H,10H2,1H3,(H,19,21)
InChIKeyLOTJBRVSJOJMFG-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.43
Rot. Bonds2

About 6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole

6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole (PubChem CID 10087230) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole
PubChem CID10087230
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole
SMILESCc1cccc(-c2c(-c3ccc4c(c3)OCO4)[nH]c3nccn23)n1
InChIInChI=1S/C18H14N4O2/c1-11-3-2-4-13(20-11)17-16(21-18-19-7-8-22(17)18)12-5-6-14-15(9-12)24-10-23-14/h2-9H,10H2,1H3,(H,19,21)
InChIKeyLOTJBRVSJOJMFG-UHFFFAOYSA-N
XLogP3.43
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzodioxol-5-yl)-2-methyl-5-(6-methyl-2-pyridinyl)-1,3-thiazole
CID 68885515
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine
CID 142081726
3-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine
CID 69224574
2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine
CID 44546379
N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]acetamide
CID 10456129
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
3-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid
CID 142779159
4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-N-(pyridin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide
CID 91139818
N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]thiophene-2-carboxamide
CID 10158985
4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-N-ethylbicyclo[2.2.2]octane-1-carboxamide
CID 69010283
4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-N-(1,3-benzothiazol-2-yl)bicyclo[2.2.2]octane-1-carboxamide
CID 87652772

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole (CID 10087230) is 6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole is Cc1cccc(-c2c(-c3ccc4c(c3)OCO4)[nH]c3nccn23)n1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole?
The InChIKey is LOTJBRVSJOJMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-11-3-2-4-13(20-11)17-16(21-18-19-7-8-22(17)18)12-5-6-14-15(9-12)24-10-23-14/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole?
6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole has a molecular weight of 318.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole is sourced from PubChem (CID 10087230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).