1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine

C16H23N3O — CID 104538077

IUPAC1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
SMILESCC(NCCC1CCOC1)c1nc2ccccc2n1C
InChIInChI=1S/C16H23N3O/c1-12(17-9-7-13-8-10-20-11-13)16-18-14-5-3-4-6-15(14)19(16)2/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyDEJQFALAJPXUNM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.65
Rot. Bonds5

About 1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine

1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine (PubChem CID 104538077) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
PubChem CID104538077
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
SMILESCC(NCCC1CCOC1)c1nc2ccccc2n1C
InChIInChI=1S/C16H23N3O/c1-12(17-9-7-13-8-10-20-11-13)16-18-14-5-3-4-6-15(14)19(16)2/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyDEJQFALAJPXUNM-UHFFFAOYSA-N
XLogP2.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64928260
1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113411965
(1S)-N-[(4-ethylsulfanyloxan-4-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 97113655
N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine
CID 43194800
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43195903
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 113350156
(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
CID 81396604
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115898723
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115898295
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 103910469

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine (CID 104538077) is 1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine is CC(NCCC1CCOC1)c1nc2ccccc2n1C.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine?
The InChIKey is DEJQFALAJPXUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(17-9-7-13-8-10-20-11-13)16-18-14-5-3-4-6-15(14)19(16)2/h3-6,12-13,17H,7-11H2,1-2H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine?
1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine is sourced from PubChem (CID 104538077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).