4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole

C17H15N5O — CID 56917793

IUPAC4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole
SMILESc1cncc(CCCn2ccnc2-c2cccc3nonc23)c1
InChIInChI=1S/C17H15N5O/c1-6-14(16-15(7-1)20-23-21-16)17-19-9-11-22(17)10-3-5-13-4-2-8-18-12-13/h1-2,4,6-9,11-12H,3,5,10H2
InChIKeyKGKWMEDAXBMSRZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.11
Rot. Bonds5

About 4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole

4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole (PubChem CID 56917793) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole
PubChem CID56917793
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole
SMILESc1cncc(CCCn2ccnc2-c2cccc3nonc23)c1
InChIInChI=1S/C17H15N5O/c1-6-14(16-15(7-1)20-23-21-16)17-19-9-11-22(17)10-3-5-13-4-2-8-18-12-13/h1-2,4,6-9,11-12H,3,5,10H2
InChIKeyKGKWMEDAXBMSRZ-UHFFFAOYSA-N
XLogP3.11
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole
CID 56866493
3-[2-[2-(furan-2-yl)imidazol-1-yl]ethyl]pyridine
CID 156586954
4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole
CID 95554101
3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
CID 116621555
2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole
CID 70719180
5-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]isoquinoline
CID 146039872
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 71923566
8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline
CID 56741436
4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole
CID 50973587
5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline
CID 56759712
N-phenyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine
CID 106563072

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole?
The IUPAC name of 4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole (CID 56917793) is 4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole?
The canonical SMILES for 4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole is c1cncc(CCCn2ccnc2-c2cccc3nonc23)c1.
What is the InChIKey of 4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole?
The InChIKey is KGKWMEDAXBMSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-6-14(16-15(7-1)20-23-21-16)17-19-9-11-22(17)10-3-5-13-4-2-8-18-12-13/h1-2,4,6-9,11-12H,3,5,10H2.
What are the key properties of 4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole?
4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole has a molecular weight of 305.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 56917793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).