N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine

C17H25N3O — CID 105007607

IUPACN-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
SMILESCCNC(Cc1nc2ccccc2n1C)C1OCCC1C
InChIInChI=1S/C17H25N3O/c1-4-18-14(17-12(2)9-10-21-17)11-16-19-13-7-5-6-8-15(13)20(16)3/h5-8,12,14,17-18H,4,9-11H2,1-3H3
InChIKeyNLNOZLGOCPREDU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.52
Rot. Bonds5

About N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine

N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine (PubChem CID 105007607) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
PubChem CID105007607
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
SMILESCCNC(Cc1nc2ccccc2n1C)C1OCCC1C
InChIInChI=1S/C17H25N3O/c1-4-18-14(17-12(2)9-10-21-17)11-16-19-13-7-5-6-8-15(13)20(16)3/h5-8,12,14,17-18H,4,9-11H2,1-3H3
InChIKeyNLNOZLGOCPREDU-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanol
CID 115818506
1-(1,4-dioxan-2-yl)-N-ethyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115824369
N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine
CID 80626898
N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012409
2-(1-methylbenzimidazol-2-yl)-1-(2-methyloxolan-3-yl)ethanol
CID 115818385
1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115824368
N-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000013
N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007583
N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750698
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007530
2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753334
[2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249700

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine (CID 105007607) is N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine is CCNC(Cc1nc2ccccc2n1C)C1OCCC1C.
What is the InChIKey of N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine?
The InChIKey is NLNOZLGOCPREDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-18-14(17-12(2)9-10-21-17)11-16-19-13-7-5-6-8-15(13)20(16)3/h5-8,12,14,17-18H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine?
N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 105007607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).