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

C15H15N3O — CID 65040320

IUPAC1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)nc(C1CCOC1)n2C1CC1
InChIInChI=1S/C15H15N3O/c16-8-10-1-4-14-13(7-10)17-15(11-5-6-19-9-11)18(14)12-2-3-12/h1,4,7,11-12H,2-3,5-6,9H2
InChIKeyNBLPFRJASNPZNJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.75
Rot. Bonds2

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

1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile (PubChem CID 65040320) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile
PubChem CID65040320
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)nc(C1CCOC1)n2C1CC1
InChIInChI=1S/C15H15N3O/c16-8-10-1-4-14-13(7-10)17-15(11-5-6-19-9-11)18(14)12-2-3-12/h1,4,7,11-12H,2-3,5-6,9H2
InChIKeyNBLPFRJASNPZNJ-UHFFFAOYSA-N
XLogP2.75
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile (CID 65040320) is 1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile is N#Cc1ccc2c(c1)nc(C1CCOC1)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile?
The InChIKey is NBLPFRJASNPZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-8-10-1-4-14-13(7-10)17-15(11-5-6-19-9-11)18(14)12-2-3-12/h1,4,7,11-12H,2-3,5-6,9H2.
What are the key properties of 1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile?
1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 65040320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).