2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine

C16H23N3O — CID 116714084

IUPAC2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine
SMILESCCn1c(CC(N)C2(OC)CCC2)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-3-19-13-8-5-4-7-12(13)18-15(19)11-14(17)16(20-2)9-6-10-16/h4-5,7-8,14H,3,6,9-11,17H2,1-2H3
InChIKeyJUYSTAXYXBEZMY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.50
Rot. Bonds5

About 2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine

2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine (PubChem CID 116714084) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine
PubChem CID116714084
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine
SMILESCCn1c(CC(N)C2(OC)CCC2)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-3-19-13-8-5-4-7-12(13)18-15(19)11-14(17)16(20-2)9-6-10-16/h4-5,7-8,14H,3,6,9-11,17H2,1-2H3
InChIKeyJUYSTAXYXBEZMY-UHFFFAOYSA-N
XLogP2.50
TPSA53.07 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclohexyl)ethanol
CID 106830947
1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724283
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine
CID 105164972
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765848
[2-(1-ethylbenzimidazol-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine
CID 105250728
2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
1-(1-ethylbenzimidazol-2-yl)-4-methoxybutan-2-ol
CID 79754353
2-(1-ethylbenzimidazol-2-yl)-1-pyridin-2-ylethanamine
CID 79753548
3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
CID 116752874
2-(1-ethylbenzimidazol-2-yl)-1-(2-methylthiolan-2-yl)ethanol
CID 105111704
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine (CID 116714084) is 2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine is CCn1c(CC(N)C2(OC)CCC2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine?
The InChIKey is JUYSTAXYXBEZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-19-13-8-5-4-7-12(13)18-15(19)11-14(17)16(20-2)9-6-10-16/h4-5,7-8,14H,3,6,9-11,17H2,1-2H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine?
2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 116714084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).