2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile

Name: 2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₅N₃O₂ — CID 116873664

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile

SMILESCC(C)(C#N)C1(c2ccc3[nH]c(=O)[nH]c3c2)COC1

InChIInChI=1S/C14H15N3O2/c1-13(2,6-15)14(7-19-8-14)9-3-4-10-11(5-9)17-12(18)16-10/h3-5H,7-8H2,1-2H3,(H2,16,17,18)

InChIKeyORUYQBPZYPQEHC-UHFFFAOYSA-N

MW257.29 g/mol

LogP1.67

Rot. Bonds2

About 2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile

2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile (PubChem CID 116873664) has the molecular formula C₁₄H₁₅N₃O₂ and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile.

Molecular Properties

Compound Name	2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile
PubChem CID	116873664
Molecular Formula	C₁₄H₁₅N₃O₂
Molecular Weight	257.29 g/mol
Exact Mass	257.12
IUPAC Name	2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile
SMILES	CC(C)(C#N)C1(c2ccc3[nH]c(=O)[nH]c3c2)COC1
InChI	InChI=1S/C14H15N3O2/c1-13(2,6-15)14(7-19-8-14)9-3-4-10-11(5-9)17-12(18)16-10/h3-5H,7-8H2,1-2H3,(H2,16,17,18)
InChIKey	ORUYQBPZYPQEHC-UHFFFAOYSA-N
XLogP	1.67
TPSA	81.67 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	257.29
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile?

The IUPAC name of 2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile (CID 116873664) is 2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile.

What is the SMILES notation for 2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile?

The canonical SMILES for 2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile is CC(C)(C#N)C1(c2ccc3[nH]c(=O)[nH]c3c2)COC1.

What is the InChIKey of 2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile?

The InChIKey is ORUYQBPZYPQEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-13(2,6-15)14(7-19-8-14)9-3-4-10-11(5-9)17-12(18)16-10/h3-5H,7-8H2,1-2H3,(H2,16,17,18).

What are the key properties of 2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile?

2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile has a molecular weight of 257.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile is sourced from PubChem (CID 116873664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 116873664 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.