2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine

C11H15N3O — CID 112602881

IUPAC2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine
SMILESCC(C)OCc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C11H15N3O/c1-7(2)15-6-11-13-9-4-3-8(12)5-10(9)14-11/h3-5,7H,6,12H2,1-2H3,(H,13,14)
InChIKeyWWPWWYBUXHQWNG-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.07
Rot. Bonds3

About 2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine

2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine (PubChem CID 112602881) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine
PubChem CID112602881
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine
SMILESCC(C)OCc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C11H15N3O/c1-7(2)15-6-11-13-9-4-3-8(12)5-10(9)14-11/h3-5,7H,6,12H2,1-2H3,(H,13,14)
InChIKeyWWPWWYBUXHQWNG-UHFFFAOYSA-N
XLogP2.07
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole
CID 112603042
2-(propan-2-yloxymethyl)-3H-benzimidazole-5-carboxylic acid
CID 112603089
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-N-(2-propan-2-yloxyethyl)-3H-benzimidazole-2,5-diamine
CID 113449876
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250
2-butyl-3H-benzimidazol-5-amine
CID 23301932
2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
CID 62589728
2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine
CID 55001133
2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine
CID 43513808
2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 112603016
2-(2-butan-2-ylsulfanylethyl)-3H-benzimidazol-5-amine
CID 43513849
4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline
CID 65017728

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine (CID 112602881) is 2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine is CC(C)OCc1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine?
The InChIKey is WWPWWYBUXHQWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(2)15-6-11-13-9-4-3-8(12)5-10(9)14-11/h3-5,7H,6,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine?
2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine has a molecular weight of 205.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 112602881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).