1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine

C12H17N3O — CID 82331925

IUPAC1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine
SMILESCC(C)Oc1ccc2nc(C(C)N)[nH]c2c1
InChIInChI=1S/C12H17N3O/c1-7(2)16-9-4-5-10-11(6-9)15-12(14-10)8(3)13/h4-8H,13H2,1-3H3,(H,14,15)
InChIKeyBKTDNZYXGAXOLB-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.37
Rot. Bonds3

About 1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine

1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine (PubChem CID 82331925) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine
PubChem CID82331925
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine
SMILESCC(C)Oc1ccc2nc(C(C)N)[nH]c2c1
InChIInChI=1S/C12H17N3O/c1-7(2)16-9-4-5-10-11(6-9)15-12(14-10)8(3)13/h4-8H,13H2,1-3H3,(H,14,15)
InChIKeyBKTDNZYXGAXOLB-UHFFFAOYSA-N
XLogP2.37
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-aminoethyl]-3H-benzimidazol-5-ol
CID 69314900
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 66734805
3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine
CID 82331922
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 69314916
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 161165676
(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 67626319
2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
CID 81078800
6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 89433833
6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
CID 65285979
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine
CID 82496166
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175

Frequently Asked Questions

What is the IUPAC name of 1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine (CID 82331925) is 1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine is CC(C)Oc1ccc2nc(C(C)N)[nH]c2c1.
What is the InChIKey of 1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is BKTDNZYXGAXOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7(2)16-9-4-5-10-11(6-9)15-12(14-10)8(3)13/h4-8H,13H2,1-3H3,(H,14,15).
What are the key properties of 1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine?
1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82331925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).