2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine

C18H15N3O2 — CID 141079495

IUPAC2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine
SMILESc1cc(-c2[nH]cnc2-c2ccc3c(c2)OCO3)nc(C2CC2)c1
InChIInChI=1S/C18H15N3O2/c1-2-13(11-4-5-11)21-14(3-1)18-17(19-9-20-18)12-6-7-15-16(8-12)23-10-22-15/h1-3,6-9,11H,4-5,10H2,(H,19,20)
InChIKeyMPJICRCQXLFQPN-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.74
Rot. Bonds3

About 2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine

2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine (PubChem CID 141079495) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine
PubChem CID141079495
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine
SMILESc1cc(-c2[nH]cnc2-c2ccc3c(c2)OCO3)nc(C2CC2)c1
InChIInChI=1S/C18H15N3O2/c1-2-13(11-4-5-11)21-14(3-1)18-17(19-9-20-18)12-6-7-15-16(8-12)23-10-22-15/h1-3,6-9,11H,4-5,10H2,(H,19,20)
InChIKeyMPJICRCQXLFQPN-UHFFFAOYSA-N
XLogP3.74
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[5-(6-cyclopropyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 141079493
6-(1,3-benzodioxol-5-yl)-7H-purine
CID 119064876
2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine
CID 141079478
[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone
CID 10028961
4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558243
4-(1,3-benzodioxol-5-yl)-2-methyl-5-(6-methyl-2-pyridinyl)-1,3-thiazole
CID 68885515
4-(1,3-benzodioxol-5-yl)pyrimidine-2-carbaldehyde
CID 83918199
3-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid
CID 142779159
2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)pyridine
CID 10088178
2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine
CID 44546379
2-(1,3-benzodioxol-5-yl)quinoxaline
CID 39776102
2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine
CID 142081726

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine (CID 141079495) is 2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine is c1cc(-c2[nH]cnc2-c2ccc3c(c2)OCO3)nc(C2CC2)c1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine?
The InChIKey is MPJICRCQXLFQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-2-13(11-4-5-11)21-14(3-1)18-17(19-9-20-18)12-6-7-15-16(8-12)23-10-22-15/h1-3,6-9,11H,4-5,10H2,(H,19,20).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine?
2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine has a molecular weight of 305.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine is sourced from PubChem (CID 141079495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).