3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine

C16H19N3S — CID 62089253

IUPAC3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine
SMILESCC(NCCCn1cnc2ccccc21)c1ccsc1
InChIInChI=1S/C16H19N3S/c1-13(14-7-10-20-11-14)17-8-4-9-19-12-18-15-5-2-3-6-16(15)19/h2-3,5-7,10-13,17H,4,8-9H2,1H3
InChIKeyAKDBXFAQOQSBKE-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.84
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine

3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine (PubChem CID 62089253) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine
PubChem CID62089253
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine
SMILESCC(NCCCn1cnc2ccccc21)c1ccsc1
InChIInChI=1S/C16H19N3S/c1-13(14-7-10-20-11-14)17-8-4-9-19-12-18-15-5-2-3-6-16(15)19/h2-3,5-7,10-13,17H,4,8-9H2,1H3
InChIKeyAKDBXFAQOQSBKE-UHFFFAOYSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(benzimidazol-1-yl)propyl]-3-ethyl-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703805
N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine
CID 43094155
N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine
CID 71876443
bis(1-butylbenzimidazole);ethane
CID 142164287
3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide
CID 97084541
3-(1-thiophen-3-ylethylamino)propan-1-ol
CID 53274757
N-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 71862770
N-(1-thiophen-3-ylethyl)decan-1-amine
CID 63491588
2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide
CID 61247629
3-(benzimidazol-1-yl)propyl-trichlorosilane
CID 59630441
3-propan-2-yloxy-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089262
1-[3-(benzimidazol-1-yl)propyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111248386

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine (CID 62089253) is 3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine is CC(NCCCn1cnc2ccccc21)c1ccsc1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine?
The InChIKey is AKDBXFAQOQSBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-13(14-7-10-20-11-14)17-8-4-9-19-12-18-15-5-2-3-6-16(15)19/h2-3,5-7,10-13,17H,4,8-9H2,1H3.
What are the key properties of 3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine?
3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine has a molecular weight of 285.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine is sourced from PubChem (CID 62089253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).