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

C16H23N3O — CID 104747178

IUPACN-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine
SMILESCCNC(Cn1c(C)nc2ccccc21)C1CCOC1
InChIInChI=1S/C16H23N3O/c1-3-17-15(13-8-9-20-11-13)10-19-12(2)18-14-6-4-5-7-16(14)19/h4-7,13,15,17H,3,8-11H2,1-2H3
InChIKeyNKUJJCOHGNQSBO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.36
Rot. Bonds5

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

N-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine (PubChem CID 104747178) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine
PubChem CID104747178
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine
SMILESCCNC(Cn1c(C)nc2ccccc21)C1CCOC1
InChIInChI=1S/C16H23N3O/c1-3-17-15(13-8-9-20-11-13)10-19-12(2)18-14-6-4-5-7-16(14)19/h4-7,13,15,17H,3,8-11H2,1-2H3
InChIKeyNKUJJCOHGNQSBO-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]quinolin-2-one
CID 104747727
2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104745923
N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757032
1-(1,4-dioxan-2-yl)-N-ethyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115824369
2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one
CID 104747156
3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol
CID 64897355
N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
CID 65143618
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757035
N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine
CID 104746584
2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753249
1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987126

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine (CID 104747178) is N-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine is CCNC(Cn1c(C)nc2ccccc21)C1CCOC1.
What is the InChIKey of N-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is NKUJJCOHGNQSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-17-15(13-8-9-20-11-13)10-19-12(2)18-14-6-4-5-7-16(14)19/h4-7,13,15,17H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine?
N-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104747178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).