1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole

C17H18N4 — CID 118763615

IUPAC1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole
SMILESc1ccc(C2CN(CCn3cnc4ccccc43)C2)nc1
InChIInChI=1S/C17H18N4/c1-2-7-17-16(6-1)19-13-21(17)10-9-20-11-14(12-20)15-5-3-4-8-18-15/h1-8,13-14H,9-12H2
InChIKeyGAGLSRBJNVGIOO-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.53
Rot. Bonds4

About 1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole

1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole (PubChem CID 118763615) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole
PubChem CID118763615
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole
SMILESc1ccc(C2CN(CCn3cnc4ccccc43)C2)nc1
InChIInChI=1S/C17H18N4/c1-2-7-17-16(6-1)19-13-21(17)10-9-20-11-14(12-20)15-5-3-4-8-18-15/h1-8,13-14H,9-12H2
InChIKeyGAGLSRBJNVGIOO-UHFFFAOYSA-N
XLogP2.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole?
The IUPAC name of 1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole (CID 118763615) is 1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole.
What is the SMILES notation for 1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole?
The canonical SMILES for 1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole is c1ccc(C2CN(CCn3cnc4ccccc43)C2)nc1.
What is the InChIKey of 1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole?
The InChIKey is GAGLSRBJNVGIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-7-17-16(6-1)19-13-21(17)10-9-20-11-14(12-20)15-5-3-4-8-18-15/h1-8,13-14H,9-12H2.
What are the key properties of 1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole?
1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole has a molecular weight of 278.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole is sourced from PubChem (CID 118763615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).