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

C14H15N3O2 — CID 116873664

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 Name2-methyl-2-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile
PubChem CID116873664
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-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
XLogP1.67
TPSA81.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]-2-methylpropanenitrile
CID 116873657
3-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxetan-3-yl]propanenitrile
CID 116873397
2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]-2-methylpropanenitrile
CID 116873668
5-[(3-methyloxetan-3-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 107234691
5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one
CID 116870825
3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]oxetane-3-carboxylic acid
CID 115248310
3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]oxetane-3-carboxylic acid
CID 116930141
2-methyl-2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propanenitrile
CID 116873690
2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115175053
2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]-2-methylpropanenitrile
CID 116873637
2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116869495
2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile
CID 115234145

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).