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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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).