3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine

C15H23N3O — CID 82334661

IUPAC3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
SMILESCCCn1c(CCCN)nc2cc(OCC)ccc21
InChIInChI=1S/C15H23N3O/c1-3-10-18-14-8-7-12(19-4-2)11-13(14)17-15(18)6-5-9-16/h7-8,11H,3-6,9-10,16H2,1-2H3
InChIKeyZTZFYYKFHRDHJU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.74
Rot. Bonds7

About 3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine

3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine (PubChem CID 82334661) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
PubChem CID82334661
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
SMILESCCCn1c(CCCN)nc2cc(OCC)ccc21
InChIInChI=1S/C15H23N3O/c1-3-10-18-14-8-7-12(19-4-2)11-13(14)17-15(18)6-5-9-16/h7-8,11H,3-6,9-10,16H2,1-2H3
InChIKeyZTZFYYKFHRDHJU-UHFFFAOYSA-N
XLogP2.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679
2-(chloromethyl)-5-ethoxy-1-propylbenzimidazole
CID 82334898
3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 82334841
(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine
CID 82334703
2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol
CID 82335008
4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one
CID 82334847
2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334711
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine
CID 82335223
3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 82333924
3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol
CID 82334844
3-(5-methoxy-1-prop-2-ynylbenzimidazol-2-yl)propan-1-amine
CID 82334293

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine (CID 82334661) is 3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine is CCCn1c(CCCN)nc2cc(OCC)ccc21.
What is the InChIKey of 3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is ZTZFYYKFHRDHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-10-18-14-8-7-12(19-4-2)11-13(14)17-15(18)6-5-9-16/h7-8,11H,3-6,9-10,16H2,1-2H3.
What are the key properties of 3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine?
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 82334661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).