2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine

C14H20ClN3O — CID 46308773

IUPAC2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
SMILESCCOCCCn1c(CCN)nc2cc(Cl)ccc21
InChIInChI=1S/C14H20ClN3O/c1-2-19-9-3-8-18-13-5-4-11(15)10-12(13)17-14(18)6-7-16/h4-5,10H,2-3,6-9,16H2,1H3
InChIKeyWZOADNWHJRNYMG-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.62
Rot. Bonds7

About 2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine

2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine (PubChem CID 46308773) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
PubChem CID46308773
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
SMILESCCOCCCn1c(CCN)nc2cc(Cl)ccc21
InChIInChI=1S/C14H20ClN3O/c1-2-19-9-3-8-18-13-5-4-11(15)10-12(13)17-14(18)6-7-16/h4-5,10H,2-3,6-9,16H2,1H3
InChIKeyWZOADNWHJRNYMG-UHFFFAOYSA-N
XLogP2.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.62
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

2-[6-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanamine
CID 46309314
3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308503
5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole
CID 43666524
5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46308742
[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol
CID 62589251
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
2-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308639
3-[5-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 46308571
5-chloro-1-(3-ethoxypropyl)-2-(3-methylphenyl)benzimidazole
CID 46308726
5-bromo-2-(chloromethyl)-1-(3-ethoxypropyl)benzimidazole
CID 43660258
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole
CID 46308719

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine (CID 46308773) is 2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine is CCOCCCn1c(CCN)nc2cc(Cl)ccc21.
What is the InChIKey of 2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine?
The InChIKey is WZOADNWHJRNYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-19-9-3-8-18-13-5-4-11(15)10-12(13)17-14(18)6-7-16/h4-5,10H,2-3,6-9,16H2,1H3.
What are the key properties of 2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine?
2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine has a molecular weight of 281.79 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 46308773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).