1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile

C16H17N3O — CID 79756124

IUPAC1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile
SMILESCC1OCCC1c1nc2cc(C#N)ccc2n1C1CC1
InChIInChI=1S/C16H17N3O/c1-10-13(6-7-20-10)16-18-14-8-11(9-17)2-5-15(14)19(16)12-3-4-12/h2,5,8,10,12-13H,3-4,6-7H2,1H3
InChIKeyPXIWYOGGBVZABP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.14
Rot. Bonds2

About 1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile

1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile (PubChem CID 79756124) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile
PubChem CID79756124
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile
SMILESCC1OCCC1c1nc2cc(C#N)ccc2n1C1CC1
InChIInChI=1S/C16H17N3O/c1-10-13(6-7-20-10)16-18-14-8-11(9-17)2-5-15(14)19(16)12-3-4-12/h2,5,8,10,12-13H,3-4,6-7H2,1H3
InChIKeyPXIWYOGGBVZABP-UHFFFAOYSA-N
XLogP3.14
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile (CID 79756124) is 1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile is CC1OCCC1c1nc2cc(C#N)ccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile?
The InChIKey is PXIWYOGGBVZABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-13(6-7-20-10)16-18-14-8-11(9-17)2-5-15(14)19(16)12-3-4-12/h2,5,8,10,12-13H,3-4,6-7H2,1H3.
What are the key properties of 1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile?
1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 79756124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).