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

C13H19N3O2 — CID 113450500

IUPAC4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
SMILESCOc1cccc2c1nc(N)n2CCOC(C)C
InChIInChI=1S/C13H19N3O2/c1-9(2)18-8-7-16-10-5-4-6-11(17-3)12(10)15-13(16)14/h4-6,9H,7-8H2,1-3H3,(H2,14,15)
InChIKeyWPKJYCXCJHXICX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.05
Rot. Bonds5

About 4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine

4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine (PubChem CID 113450500) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
PubChem CID113450500
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
SMILESCOc1cccc2c1nc(N)n2CCOC(C)C
InChIInChI=1S/C13H19N3O2/c1-9(2)18-8-7-16-10-5-4-6-11(17-3)12(10)15-13(16)14/h4-6,9H,7-8H2,1-3H3,(H2,14,15)
InChIKeyWPKJYCXCJHXICX-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

1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763114
6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763122
1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine
CID 2984464
2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide
CID 106240102
1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine
CID 113393510
6-methyl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763119
1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine
CID 113393056
4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine
CID 114701193
7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763128
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine
CID 106374976
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine
CID 106406007
1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine
CID 106406074

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine?
The IUPAC name of 4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine (CID 113450500) is 4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine.
What is the SMILES notation for 4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine?
The canonical SMILES for 4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine is COc1cccc2c1nc(N)n2CCOC(C)C.
What is the InChIKey of 4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine?
The InChIKey is WPKJYCXCJHXICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)18-8-7-16-10-5-4-6-11(17-3)12(10)15-13(16)14/h4-6,9H,7-8H2,1-3H3,(H2,14,15).
What are the key properties of 4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine?
4-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 4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine is sourced from PubChem (CID 113450500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).