2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine

C17H21N3O — CID 105007716

IUPAC2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
SMILESCCn1c(CC(NC)c2coc(C)c2)nc2ccccc21
InChIInChI=1S/C17H21N3O/c1-4-20-16-8-6-5-7-14(16)19-17(20)10-15(18-3)13-9-12(2)21-11-13/h5-9,11,15,18H,4,10H2,1-3H3
InChIKeyGCVMOPVXRZPKDY-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.46
Rot. Bonds5

About 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine

2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine (PubChem CID 105007716) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
PubChem CID105007716
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
SMILESCCn1c(CC(NC)c2coc(C)c2)nc2ccccc21
InChIInChI=1S/C17H21N3O/c1-4-20-16-8-6-5-7-14(16)19-17(20)10-15(18-3)13-9-12(2)21-11-13/h5-9,11,15,18H,4,10H2,1-3H3
InChIKeyGCVMOPVXRZPKDY-UHFFFAOYSA-N
XLogP3.46
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol
CID 115818572
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-pyridin-2-ylethanamine
CID 79756296
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 79750862
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
CID 105164975
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
CID 79750551
2-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 105009117
N-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine
CID 79756302
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
1-(furan-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750479
1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 79751086
[2-(1-ethylbenzimidazol-2-yl)-1-pyridazin-4-ylethyl]hydrazine
CID 105321121
[2-(1-ethylbenzimidazol-2-yl)-1-thiophen-2-ylethyl]hydrazine
CID 105193559

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine (CID 105007716) is 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine is CCn1c(CC(NC)c2coc(C)c2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine?
The InChIKey is GCVMOPVXRZPKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-20-16-8-6-5-7-14(16)19-17(20)10-15(18-3)13-9-12(2)21-11-13/h5-9,11,15,18H,4,10H2,1-3H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine?
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine has a molecular weight of 283.38 g/mol, XLogP of 3.46, 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)-N-methyl-1-(5-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 105007716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).