1-ethyl-2-benzofuran-5-carboximidamide

C11H12N2O — CID 70063763

IUPAC1-ethyl-2-benzofuran-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(CC)occ2c1
InChIInChI=1S/C11H12N2O/c1-2-10-9-4-3-7(11(12)13)5-8(9)6-14-10/h3-6H,2H2,1H3,(H3,12,13)
InChIKeyMZOQMZGXSZXXMO-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.28
Rot. Bonds2

About 1-ethyl-2-benzofuran-5-carboximidamide

1-ethyl-2-benzofuran-5-carboximidamide (PubChem CID 70063763) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-ethyl-2-benzofuran-5-carboximidamide.

Molecular Properties

Compound Name1-ethyl-2-benzofuran-5-carboximidamide
PubChem CID70063763
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-ethyl-2-benzofuran-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(CC)occ2c1
InChIInChI=1S/C11H12N2O/c1-2-10-9-4-3-7(11(12)13)5-8(9)6-14-10/h3-6H,2H2,1H3,(H3,12,13)
InChIKeyMZOQMZGXSZXXMO-UHFFFAOYSA-N
XLogP2.28
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(5-carbamimidoyl-2-benzofuran-1-yl)-2-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]propanoic acid
CID 70072528
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
3-(5-carbamimidoyl-2-benzofuran-1-yl)-2-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]propanoic acid;dihydrochloride
CID 70072527
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
6-methoxynaphthalene-2-carboximidamide
CID 3274917
3-(diethylamino)-4-methylbenzenecarboximidamide
CID 173214309
2-[10-(5-carbamimidoyl-1-benzofuran-2-yl)decyl]-1-benzofuran-5-carboximidamide;dihydrochloride
CID 23655931
7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide
CID 20814090
6,7-dibromonaphthalene-2-carboximidamide
CID 121232083
6-propan-2-ylnaphthalene-2-carboximidamide
CID 138525860
5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide
CID 159127803
ethyl 5-carbamimidoyl-1-benzofuran-2-carboxylate;hydrochloride
CID 18919516

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-benzofuran-5-carboximidamide?
The IUPAC name of 1-ethyl-2-benzofuran-5-carboximidamide (CID 70063763) is 1-ethyl-2-benzofuran-5-carboximidamide.
What is the SMILES notation for 1-ethyl-2-benzofuran-5-carboximidamide?
The canonical SMILES for 1-ethyl-2-benzofuran-5-carboximidamide is [H]/N=C(\N)c1ccc2c(CC)occ2c1.
What is the InChIKey of 1-ethyl-2-benzofuran-5-carboximidamide?
The InChIKey is MZOQMZGXSZXXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-10-9-4-3-7(11(12)13)5-8(9)6-14-10/h3-6H,2H2,1H3,(H3,12,13).
What are the key properties of 1-ethyl-2-benzofuran-5-carboximidamide?
1-ethyl-2-benzofuran-5-carboximidamide has a molecular weight of 188.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-benzofuran-5-carboximidamide is sourced from PubChem (CID 70063763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).