4-(2-methylpropoxy)-1H-imidazol-5-amine

C7H13N3O — CID 83619726

IUPAC4-(2-methylpropoxy)-1H-imidazol-5-amine
SMILESCC(C)COc1nc[nH]c1N
InChIInChI=1S/C7H13N3O/c1-5(2)3-11-7-6(8)9-4-10-7/h4-5H,3,8H2,1-2H3,(H,9,10)
InChIKeyBWQQGHVQMALCAC-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.03
Rot. Bonds3

About 4-(2-methylpropoxy)-1H-imidazol-5-amine

4-(2-methylpropoxy)-1H-imidazol-5-amine (PubChem CID 83619726) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-1H-imidazol-5-amine.

Molecular Properties

Compound Name4-(2-methylpropoxy)-1H-imidazol-5-amine
PubChem CID83619726
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-(2-methylpropoxy)-1H-imidazol-5-amine
SMILESCC(C)COc1nc[nH]c1N
InChIInChI=1S/C7H13N3O/c1-5(2)3-11-7-6(8)9-4-10-7/h4-5H,3,8H2,1-2H3,(H,9,10)
InChIKeyBWQQGHVQMALCAC-UHFFFAOYSA-N
XLogP1.03
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-1H-imidazol-5-amine?
The IUPAC name of 4-(2-methylpropoxy)-1H-imidazol-5-amine (CID 83619726) is 4-(2-methylpropoxy)-1H-imidazol-5-amine.
What is the SMILES notation for 4-(2-methylpropoxy)-1H-imidazol-5-amine?
The canonical SMILES for 4-(2-methylpropoxy)-1H-imidazol-5-amine is CC(C)COc1nc[nH]c1N.
What is the InChIKey of 4-(2-methylpropoxy)-1H-imidazol-5-amine?
The InChIKey is BWQQGHVQMALCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(2)3-11-7-6(8)9-4-10-7/h4-5H,3,8H2,1-2H3,(H,9,10).
What are the key properties of 4-(2-methylpropoxy)-1H-imidazol-5-amine?
4-(2-methylpropoxy)-1H-imidazol-5-amine has a molecular weight of 155.20 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-1H-imidazol-5-amine is sourced from PubChem (CID 83619726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).