6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine

C13H19N3O2 — CID 104763122

IUPAC6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
SMILESCOc1ccc2nc(N)n(CCOC(C)C)c2c1
InChIInChI=1S/C13H19N3O2/c1-9(2)18-7-6-16-12-8-10(17-3)4-5-11(12)15-13(16)14/h4-5,8-9H,6-7H2,1-3H3,(H2,14,15)
InChIKeyXDTGBLLMQIOAAR-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.05
Rot. Bonds5

About 6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine

6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine (PubChem CID 104763122) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
PubChem CID104763122
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
SMILESCOc1ccc2nc(N)n(CCOC(C)C)c2c1
InChIInChI=1S/C13H19N3O2/c1-9(2)18-7-6-16-12-8-10(17-3)4-5-11(12)15-13(16)14/h4-5,8-9H,6-7H2,1-3H3,(H2,14,15)
InChIKeyXDTGBLLMQIOAAR-UHFFFAOYSA-N
XLogP2.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763119
1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763114
1-ethyl-6-methoxybenzimidazol-2-amine
CID 18761807
4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 113450500
1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine
CID 106008013
1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine
CID 106035989
3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide
CID 106278480
1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine
CID 107853170
7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763128
6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine
CID 80522196
1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine
CID 15955948
6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
CID 65347072

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine?
The IUPAC name of 6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine (CID 104763122) is 6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine.
What is the SMILES notation for 6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine?
The canonical SMILES for 6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine is COc1ccc2nc(N)n(CCOC(C)C)c2c1.
What is the InChIKey of 6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine?
The InChIKey is XDTGBLLMQIOAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)18-7-6-16-12-8-10(17-3)4-5-11(12)15-13(16)14/h4-5,8-9H,6-7H2,1-3H3,(H2,14,15).
What are the key properties of 6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine?
6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine has a molecular weight of 249.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine is sourced from PubChem (CID 104763122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).