3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine

C13H19N3O — CID 82496166

IUPAC3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine
SMILESCC(C)c1nc2ccc(OCCCN)cc2[nH]1
InChIInChI=1S/C13H19N3O/c1-9(2)13-15-11-5-4-10(8-12(11)16-13)17-7-3-6-14/h4-5,8-9H,3,6-7,14H2,1-2H3,(H,15,16)
InChIKeyPLJXRQCSZYTGAQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.41
Rot. Bonds5

About 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine

3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine (PubChem CID 82496166) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine.

Molecular Properties

Compound Name3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine
PubChem CID82496166
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine
SMILESCC(C)c1nc2ccc(OCCCN)cc2[nH]1
InChIInChI=1S/C13H19N3O/c1-9(2)13-15-11-5-4-10(8-12(11)16-13)17-7-3-6-14/h4-5,8-9H,3,6-7,14H2,1-2H3,(H,15,16)
InChIKeyPLJXRQCSZYTGAQ-UHFFFAOYSA-N
XLogP2.41
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
CID 84816333
1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331899
1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine
CID 82331898
2-(1-chloroethyl)-6-ethoxy-1H-benzimidazole
CID 82331877
1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331868
O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 117293706
3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine
CID 82331922
1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine
CID 82331925
2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
CID 81078800
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 170650587
6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
CID 65285979

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine?
The IUPAC name of 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine (CID 82496166) is 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine.
What is the SMILES notation for 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine?
The canonical SMILES for 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine is CC(C)c1nc2ccc(OCCCN)cc2[nH]1.
What is the InChIKey of 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine?
The InChIKey is PLJXRQCSZYTGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)13-15-11-5-4-10(8-12(11)16-13)17-7-3-6-14/h4-5,8-9H,3,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine?
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine is sourced from PubChem (CID 82496166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).