N'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide

C16H14N2O2 — CID 3055567

IUPACN'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide
SMILESCOc1ccc(/N=C(\N)c2cc3ccccc3o2)cc1
InChIInChI=1S/C16H14N2O2/c1-19-13-8-6-12(7-9-13)18-16(17)15-10-11-4-2-3-5-14(11)20-15/h2-10H,1H3,(H2,17,18)
InChIKeySPMHCHAUKKIOND-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.48
Rot. Bonds3

About N'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide

N'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide (PubChem CID 3055567) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide
PubChem CID3055567
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide
SMILESCOc1ccc(/N=C(\N)c2cc3ccccc3o2)cc1
InChIInChI=1S/C16H14N2O2/c1-19-13-8-6-12(7-9-13)18-16(17)15-10-11-4-2-3-5-14(11)20-15/h2-10H,1H3,(H2,17,18)
InChIKeySPMHCHAUKKIOND-UHFFFAOYSA-N
XLogP3.48
TPSA60.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
[1-benzofuran-2-yl(methoxy)methylidene]chromium
CID 134878936
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
N'-(4-methoxyphenyl)propanimidamide
CID 63174454
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 135071649
[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473746
[(E)-1-(1-benzofuran-2-yl)ethylideneamino] acetate
CID 53467236
1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 4556919

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide?
The IUPAC name of N'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide (CID 3055567) is N'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide.
What is the SMILES notation for N'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide?
The canonical SMILES for N'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide is COc1ccc(/N=C(\N)c2cc3ccccc3o2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide?
The InChIKey is SPMHCHAUKKIOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-19-13-8-6-12(7-9-13)18-16(17)15-10-11-4-2-3-5-14(11)20-15/h2-10H,1H3,(H2,17,18).
What are the key properties of N'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide?
N'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide has a molecular weight of 266.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-1-benzofuran-2-carboximidamide is sourced from PubChem (CID 3055567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).