1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine

C12H17N3O — CID 64573636

IUPAC1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine
SMILESCCC(C)(N)COc1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3O/c1-3-12(2,13)8-16-11-14-9-6-4-5-7-10(9)15-11/h4-7H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyRISBPBIATVFAFP-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.07
Rot. Bonds4

About 1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine

1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine (PubChem CID 64573636) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine
PubChem CID64573636
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine
SMILESCCC(C)(N)COc1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3O/c1-3-12(2,13)8-16-11-14-9-6-4-5-7-10(9)15-11/h4-7H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyRISBPBIATVFAFP-UHFFFAOYSA-N
XLogP2.07
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzimidazol-2-yloxy)butane-2-thiol
CID 87069794
3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine
CID 154216054
2-(1H-benzimidazol-2-yloxy)-1H-benzimidazole
CID 21195904
2-methylsulfanyloxy-1H-benzimidazole
CID 118398780
1-(1H-benzimidazol-2-yloxy)octane-4,4-disulfonic acid
CID 87777134
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]-1H-benzimidazole
CID 169437833
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
1H-benzimidazol-2-yl butyl carbonate
CID 174919281
tert-butyl 2-(1H-benzimidazol-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 71631416
1-(1H-benzimidazol-2-yloxy)ethanol
CID 164970423
2-(2-methylbutan-2-yldisulfanyl)-1H-benzimidazole
CID 121015750
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine?
The IUPAC name of 1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine (CID 64573636) is 1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine?
The canonical SMILES for 1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine is CCC(C)(N)COc1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine?
The InChIKey is RISBPBIATVFAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-12(2,13)8-16-11-14-9-6-4-5-7-10(9)15-11/h4-7H,3,8,13H2,1-2H3,(H,14,15).
What are the key properties of 1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine?
1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yloxy)-2-methylbutan-2-amine is sourced from PubChem (CID 64573636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).