3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine

C14H21N3O — CID 154216054

IUPAC3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOc1nc2ccccc2[nH]1
InChIInChI=1S/C14H21N3O/c1-3-17(4-2)10-7-11-18-14-15-12-8-5-6-9-13(12)16-14/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,16)
InChIKeySKISCAXSBXOFNR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.67
Rot. Bonds7

About 3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine

3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine (PubChem CID 154216054) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine
PubChem CID154216054
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOc1nc2ccccc2[nH]1
InChIInChI=1S/C14H21N3O/c1-3-17(4-2)10-7-11-18-14-15-12-8-5-6-9-13(12)16-14/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,16)
InChIKeySKISCAXSBXOFNR-UHFFFAOYSA-N
XLogP2.67
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine 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-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine
CID 19938404
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine
CID 141216936
N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 82337057
1-(1H-benzimidazol-2-yloxy)octane-4,4-disulfonic acid
CID 87777134
1-(1H-benzimidazol-2-yloxy)butane-2-thiol
CID 87069794
1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine
CID 64573636
2-(1H-benzimidazol-2-yloxy)-1H-benzimidazole
CID 21195904
2-(diethylamino)ethyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate
CID 14947189
1H-benzimidazol-2-yl butyl carbonate
CID 174919281
3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 168554276
2-methylsulfanyloxy-1H-benzimidazole
CID 118398780

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine (CID 154216054) is 3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine is CCN(CC)CCCOc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine?
The InChIKey is SKISCAXSBXOFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-17(4-2)10-7-11-18-14-15-12-8-5-6-9-13(12)16-14/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,16).
What are the key properties of 3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine?
3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 154216054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).