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

C15H23N3O — CID 82331899

IUPAC1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine
SMILESCCCCC(N)c1nc2ccc(OCCC)cc2[nH]1
InChIInChI=1S/C15H23N3O/c1-3-5-6-12(16)15-17-13-8-7-11(19-9-4-2)10-14(13)18-15/h7-8,10,12H,3-6,9,16H2,1-2H3,(H,17,18)
InChIKeyIYANNSUMESSBMQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.54
Rot. Bonds7

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

1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine (PubChem CID 82331899) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine
PubChem CID82331899
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine
SMILESCCCCC(N)c1nc2ccc(OCCC)cc2[nH]1
InChIInChI=1S/C15H23N3O/c1-3-5-6-12(16)15-17-13-8-7-11(19-9-4-2)10-14(13)18-15/h7-8,10,12H,3-6,9,16H2,1-2H3,(H,17,18)
InChIKeyIYANNSUMESSBMQ-UHFFFAOYSA-N
XLogP3.54
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331868
1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine
CID 82331898
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
CID 27506225
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine
CID 82496166
2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
CID 81078800
2-heptan-3-yl-6-methoxy-1H-benzimidazole
CID 65019207
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
CID 84816333
4-(6-propoxy-1H-benzimidazol-2-yl)aniline
CID 82331892
2-(1-chloroethyl)-6-ethoxy-1H-benzimidazole
CID 82331877
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
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)pentan-1-amine?
The IUPAC name of 1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine (CID 82331899) is 1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine is CCCCC(N)c1nc2ccc(OCCC)cc2[nH]1.
What is the InChIKey of 1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine?
The InChIKey is IYANNSUMESSBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-5-6-12(16)15-17-13-8-7-11(19-9-4-2)10-14(13)18-15/h7-8,10,12H,3-6,9,16H2,1-2H3,(H,17,18).
What are the key properties of 1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine?
1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.54, 7 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)pentan-1-amine is sourced from PubChem (CID 82331899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).