1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine

C13H19N3O — CID 82331898

IUPAC1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine
SMILESCCCOc1ccc2nc(C(N)CC)[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-3-7-17-9-5-6-11-12(8-9)16-13(15-11)10(14)4-2/h5-6,8,10H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyONXRBNLVXCZXPY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.76
Rot. Bonds5

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

1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine (PubChem CID 82331898) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine
PubChem CID82331898
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine
SMILESCCCOc1ccc2nc(C(N)CC)[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-3-7-17-9-5-6-11-12(8-9)16-13(15-11)10(14)4-2/h5-6,8,10H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyONXRBNLVXCZXPY-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331899
1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331868
2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
CID 81078800
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine
CID 82496166
(1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine
CID 86699046
4-(6-propoxy-1H-benzimidazol-2-yl)aniline
CID 82331892
2-(1-chloroethyl)-6-ethoxy-1H-benzimidazole
CID 82331877
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
CID 84816333
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 67626319
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
3-[[2-[(1R)-1-amino-2-(4-phenylmethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]oxy]-N,N-diethylpropan-1-amine
CID 10140213

Frequently Asked Questions

What is the IUPAC name of 1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine (CID 82331898) is 1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine is CCCOc1ccc2nc(C(N)CC)[nH]c2c1.
What is the InChIKey of 1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine?
The InChIKey is ONXRBNLVXCZXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-7-17-9-5-6-11-12(8-9)16-13(15-11)10(14)4-2/h5-6,8,10H,3-4,7,14H2,1-2H3,(H,15,16).
What are the key properties of 1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine?
1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 82331898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).