1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine

C13H19N3O2 — CID 74554180

IUPAC1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
SMILESCCn1c(C(C)N)nc2cc(OC)c(OC)cc21
InChIInChI=1S/C13H19N3O2/c1-5-16-10-7-12(18-4)11(17-3)6-9(10)15-13(16)8(2)14/h6-8H,5,14H2,1-4H3
InChIKeyJCSOXKWUCKYFEL-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.09
Rot. Bonds4

About 1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine

1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine (PubChem CID 74554180) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
PubChem CID74554180
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
SMILESCCn1c(C(C)N)nc2cc(OC)c(OC)cc21
InChIInChI=1S/C13H19N3O2/c1-5-16-10-7-12(18-4)11(17-3)6-9(10)15-13(16)8(2)14/h6-8H,5,14H2,1-4H3
InChIKeyJCSOXKWUCKYFEL-UHFFFAOYSA-N
XLogP2.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
CID 82024968
2-[2-(1-aminoethyl)-5,6-dimethoxybenzimidazol-1-yl]acetonitrile
CID 82024969
2-(1-chloroethyl)-1-ethyl-5-fluoro-6-methoxybenzimidazole
CID 63598588
1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine
CID 82025003
1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine
CID 82024996
2-(1-chloroethyl)-5,6-dimethoxy-1-(2-methylbutan-2-yl)benzimidazole
CID 83003669
3-[2-(1-aminopropyl)-5,6-dimethoxybenzimidazol-1-yl]propanoic acid
CID 82025004
1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 59177162
10-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)decan-1-amine
CID 92636108
methyl 3-[2-(1-aminoethyl)-3-ethylbenzimidazol-5-yl]propanoate
CID 87324396
3-[2-[(1S)-1-hydroxyethyl]-5,6-dimethoxybenzimidazol-1-yl]propanoic acid
CID 66262870
5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine
CID 83003477

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine (CID 74554180) is 1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine is CCn1c(C(C)N)nc2cc(OC)c(OC)cc21.
What is the InChIKey of 1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine?
The InChIKey is JCSOXKWUCKYFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-5-16-10-7-12(18-4)11(17-3)6-9(10)15-13(16)8(2)14/h6-8H,5,14H2,1-4H3.
What are the key properties of 1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine?
1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine has a molecular weight of 249.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 74554180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).