2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile

C14H17N3O — CID 65040254

IUPAC2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile
SMILESCCCn1c(COCC)nc2cc(C#N)ccc21
InChIInChI=1S/C14H17N3O/c1-3-7-17-13-6-5-11(9-15)8-12(13)16-14(17)10-18-4-2/h5-6,8H,3-4,7,10H2,1-2H3
InChIKeyRBAAQWGEIRADTO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.85
Rot. Bonds5

About 2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile

2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile (PubChem CID 65040254) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile
PubChem CID65040254
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile
SMILESCCCn1c(COCC)nc2cc(C#N)ccc21
InChIInChI=1S/C14H17N3O/c1-3-7-17-13-6-5-11(9-15)8-12(13)16-14(17)10-18-4-2/h5-6,8H,3-4,7,10H2,1-2H3
InChIKeyRBAAQWGEIRADTO-UHFFFAOYSA-N
XLogP2.85
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile 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

2-(propoxymethyl)-1-propylbenzimidazole-5-carbonitrile
CID 107941810
1-(2-methylpropyl)-2-(propoxymethyl)benzimidazole-5-carbonitrile
CID 107941814
2-(4-methylphenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040444
2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile
CID 107003447
2-[(1S)-1-hydroxyethyl]-1-propylbenzimidazole-5-carbonitrile
CID 66263869
1-propan-2-yl-2-(propoxymethyl)benzimidazole-5-carbonitrile
CID 107941811
2-butyl-1-ethylbenzimidazole-5-carbonitrile
CID 65040583
1-methyl-2-(2-propoxyethyl)benzimidazole-5-carbonitrile
CID 65035097
1-cyclopropyl-2-(propoxymethyl)benzimidazole-5-carbonitrile
CID 107941812
2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile
CID 65040636
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile
CID 65040307

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile (CID 65040254) is 2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile is CCCn1c(COCC)nc2cc(C#N)ccc21.
What is the InChIKey of 2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile?
The InChIKey is RBAAQWGEIRADTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-7-17-13-6-5-11(9-15)8-12(13)16-14(17)10-18-4-2/h5-6,8H,3-4,7,10H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile?
2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65040254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).