3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile

C17H15N3O — CID 84816265

IUPAC3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile
SMILESCCc1nc2ccc(OCc3cccc(C#N)c3)cc2[nH]1
InChIInChI=1S/C17H15N3O/c1-2-17-19-15-7-6-14(9-16(15)20-17)21-11-13-5-3-4-12(8-13)10-18/h3-9H,2,11H2,1H3,(H,19,20)
InChIKeyFKPVEVDGRKQSSP-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.58
Rot. Bonds4

About 3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile

3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile (PubChem CID 84816265) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile
PubChem CID84816265
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile
SMILESCCc1nc2ccc(OCc3cccc(C#N)c3)cc2[nH]1
InChIInChI=1S/C17H15N3O/c1-2-17-19-15-7-6-14(9-16(15)20-17)21-11-13-5-3-4-12(8-13)10-18/h3-9H,2,11H2,1H3,(H,19,20)
InChIKeyFKPVEVDGRKQSSP-UHFFFAOYSA-N
XLogP3.58
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3H-benzimidazol-5-yloxymethyl)benzonitrile
CID 167275121
2-ethyl-3H-benzimidazole-5-carbonitrile
CID 70184762
3-(1H-indazol-5-yloxymethyl)benzonitrile
CID 18447114
3-[[4-(methylamino)phenoxy]methyl]benzonitrile
CID 61026564
2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid
CID 84816254
3-[[4-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]methyl]benzonitrile
CID 43185656
3-[(3-tert-butylphenoxy)methyl]benzonitrile
CID 43238316
3-[[4-(1-aminopropyl)phenoxy]methyl]benzonitrile
CID 60878628
2-(6-methyl-1H-benzimidazol-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 5032048
3-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 28561914
3-[(3-aminophenoxy)methyl]benzonitrile
CID 16795875
3-[(6-methoxy-4-oxo-3H-quinazolin-2-yl)methoxy]benzonitrile
CID 156870480

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile?
The IUPAC name of 3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile (CID 84816265) is 3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile.
What is the SMILES notation for 3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile?
The canonical SMILES for 3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile is CCc1nc2ccc(OCc3cccc(C#N)c3)cc2[nH]1.
What is the InChIKey of 3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile?
The InChIKey is FKPVEVDGRKQSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-2-17-19-15-7-6-14(9-16(15)20-17)21-11-13-5-3-4-12(8-13)10-18/h3-9H,2,11H2,1H3,(H,19,20).
What are the key properties of 3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile?
3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile has a molecular weight of 277.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile is sourced from PubChem (CID 84816265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).