3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine

C13H19N3O — CID 82331922

IUPAC3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine
SMILESCC(C)Oc1ccc2nc(CCCN)[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-9(2)17-10-5-6-11-12(8-10)16-13(15-11)4-3-7-14/h5-6,8-9H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeySPKYKSXNFHLECM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.24
Rot. Bonds5

About 3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine

3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine (PubChem CID 82331922) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine
PubChem CID82331922
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine
SMILESCC(C)Oc1ccc2nc(CCCN)[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-9(2)17-10-5-6-11-12(8-10)16-13(15-11)4-3-7-14/h5-6,8-9H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeySPKYKSXNFHLECM-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82331939
2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine
CID 82285613
1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine
CID 82331925
2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 170650587
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid
CID 84816308
6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine
CID 82496166
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine
CID 82184501

Frequently Asked Questions

What is the IUPAC name of 3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine (CID 82331922) is 3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine is CC(C)Oc1ccc2nc(CCCN)[nH]c2c1.
What is the InChIKey of 3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine?
The InChIKey is SPKYKSXNFHLECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)17-10-5-6-11-12(8-10)16-13(15-11)4-3-7-14/h5-6,8-9H,3-4,7,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine?
3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 82331922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).