1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine

C15H23N3O — CID 82335031

IUPAC1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine
SMILESCCCOc1ccc2c(c1)nc(C(C)N)n2CCC
InChIInChI=1S/C15H23N3O/c1-4-8-18-14-7-6-12(19-9-5-2)10-13(14)17-15(18)11(3)16/h6-7,10-11H,4-5,8-9,16H2,1-3H3
InChIKeyDWJCDNOMHPNNOA-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.25
Rot. Bonds6

About 1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine

1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine (PubChem CID 82335031) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine
PubChem CID82335031
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine
SMILESCCCOc1ccc2c(c1)nc(C(C)N)n2CCC
InChIInChI=1S/C15H23N3O/c1-4-8-18-14-7-6-12(19-9-5-2)10-13(14)17-15(18)11(3)16/h6-7,10-11H,4-5,8-9,16H2,1-3H3
InChIKeyDWJCDNOMHPNNOA-UHFFFAOYSA-N
XLogP3.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine
CID 82335259
1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
CID 82334728
1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
CID 82332092
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol
CID 82335008
(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)methanethiol
CID 82335413
1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82333614
2-(chloromethyl)-5-ethoxy-1-propylbenzimidazole
CID 82334898
2-[2-[1-(dimethylamino)ethyl]-5-ethoxybenzimidazol-1-yl]ethanol
CID 82311699
2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol
CID 82335082
1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82334348
1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
CID 82335282

Frequently Asked Questions

What is the IUPAC name of 1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine (CID 82335031) is 1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine is CCCOc1ccc2c(c1)nc(C(C)N)n2CCC.
What is the InChIKey of 1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine?
The InChIKey is DWJCDNOMHPNNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-8-18-14-7-6-12(19-9-5-2)10-13(14)17-15(18)11(3)16/h6-7,10-11H,4-5,8-9,16H2,1-3H3.
What are the key properties of 1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine?
1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine has a molecular weight of 261.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82335031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).