2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine

C11H15N3O2 — CID 81078800

IUPAC2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
SMILESCOCC(N)c1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C11H15N3O2/c1-15-6-8(12)11-13-9-4-3-7(16-2)5-10(9)14-11/h3-5,8H,6,12H2,1-2H3,(H,13,14)
InChIKeyKEQGWIDGWDNFEV-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.22
Rot. Bonds4

About 2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine

2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine (PubChem CID 81078800) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
PubChem CID81078800
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
SMILESCOCC(N)c1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C11H15N3O2/c1-15-6-8(12)11-13-9-4-3-7(16-2)5-10(9)14-11/h3-5,8H,6,12H2,1-2H3,(H,13,14)
InChIKeyKEQGWIDGWDNFEV-UHFFFAOYSA-N
XLogP1.22
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 67626319
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
CID 65285979
1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine
CID 82331898
6-methoxy-2-pentan-2-yl-1H-benzimidazole
CID 65017601
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331899
1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331868
2-heptan-3-yl-6-methoxy-1H-benzimidazole
CID 65019207
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol
CID 82336077

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of 2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine (CID 81078800) is 2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for 2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine is COCC(N)c1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of 2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is KEQGWIDGWDNFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-15-6-8(12)11-13-9-4-3-7(16-2)5-10(9)14-11/h3-5,8H,6,12H2,1-2H3,(H,13,14).
What are the key properties of 2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine?
2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 221.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 81078800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).