1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine

C14H21N3O — CID 82331868

IUPAC1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
SMILESCCCCC(N)c1nc2ccc(OCC)cc2[nH]1
InChIInChI=1S/C14H21N3O/c1-3-5-6-11(15)14-16-12-8-7-10(18-4-2)9-13(12)17-14/h7-9,11H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyCGARQRRZZIDFQO-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.15
Rot. Bonds6

About 1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine

1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine (PubChem CID 82331868) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
PubChem CID82331868
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
SMILESCCCCC(N)c1nc2ccc(OCC)cc2[nH]1
InChIInChI=1S/C14H21N3O/c1-3-5-6-11(15)14-16-12-8-7-10(18-4-2)9-13(12)17-14/h7-9,11H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyCGARQRRZZIDFQO-UHFFFAOYSA-N
XLogP3.15
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331899
1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine
CID 82331898
2-(1-chloroethyl)-6-ethoxy-1H-benzimidazole
CID 82331877
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
CID 27506225
6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716
2-heptan-3-yl-6-methoxy-1H-benzimidazole
CID 65019207
(2R,3S)-3-(6-ethoxy-1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 3009995
2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol
CID 82336047
2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
CID 81078800
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine
CID 82496166
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
CID 65285979

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine?
The IUPAC name of 1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine (CID 82331868) is 1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine is CCCCC(N)c1nc2ccc(OCC)cc2[nH]1.
What is the InChIKey of 1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine?
The InChIKey is CGARQRRZZIDFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-5-6-11(15)14-16-12-8-7-10(18-4-2)9-13(12)17-14/h7-9,11H,3-6,15H2,1-2H3,(H,16,17).
What are the key properties of 1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine?
1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 82331868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).