3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine

C15H23N3OS — CID 61385799

IUPAC3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine
SMILESCCCNCCCSc1nc2ccc(OCC)cc2[nH]1
InChIInChI=1S/C15H23N3OS/c1-3-8-16-9-5-10-20-15-17-13-7-6-12(19-4-2)11-14(13)18-15/h6-7,11,16H,3-5,8-10H2,1-2H3,(H,17,18)
InChIKeyOSSSMSNLIHIZSM-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.44
Rot. Bonds9

About 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine

3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine (PubChem CID 61385799) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine
PubChem CID61385799
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine
SMILESCCCNCCCSc1nc2ccc(OCC)cc2[nH]1
InChIInChI=1S/C15H23N3OS/c1-3-8-16-9-5-10-20-15-17-13-7-6-12(19-4-2)11-14(13)18-15/h6-7,11,16H,3-5,8-10H2,1-2H3,(H,17,18)
InChIKeyOSSSMSNLIHIZSM-UHFFFAOYSA-N
XLogP3.44
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 5169709
5-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pentanehydrazide
CID 63582635
6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylhexan-2-amine
CID 64619413
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol
CID 64821086
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylethanamine
CID 10314534
4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylbutan-2-amine
CID 64621940
3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylpropan-1-amine
CID 61386487
N-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propyl]butan-1-amine
CID 62577069
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
CID 159344555
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methoxyethyl)butan-1-amine
CID 62585236
4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol
CID 64820862

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine?
The IUPAC name of 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine (CID 61385799) is 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine is CCCNCCCSc1nc2ccc(OCC)cc2[nH]1.
What is the InChIKey of 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine?
The InChIKey is OSSSMSNLIHIZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-3-8-16-9-5-10-20-15-17-13-7-6-12(19-4-2)11-14(13)18-15/h6-7,11,16H,3-5,8-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine?
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine has a molecular weight of 293.44 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine is sourced from PubChem (CID 61385799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).