4-(furan-2-yl)benzenecarboximidamide

C11H10N2O — CID 11286893

IUPAC4-(furan-2-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C11H10N2O/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H,(H3,12,13)
InChIKeyZKDPTDQAACMGKF-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.23
Rot. Bonds2

About 4-(furan-2-yl)benzenecarboximidamide

4-(furan-2-yl)benzenecarboximidamide (PubChem CID 11286893) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(furan-2-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(furan-2-yl)benzenecarboximidamide
PubChem CID11286893
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-(furan-2-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C11H10N2O/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H,(H3,12,13)
InChIKeyZKDPTDQAACMGKF-UHFFFAOYSA-N
XLogP2.23
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.23
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

4-(1,2-oxazol-5-yl)benzenecarboximidamide
CID 142630673
3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride
CID 11153113
ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-[5-(4-tert-butylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026326
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026325
4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride
CID 16658981
5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide
CID 23160957
benzenecarboximidamide;sulfane
CID 172701796
4-methylphosphanylbenzenecarboximidamide
CID 156750976
4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 11689909
2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide
CID 73057705

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)benzenecarboximidamide?
The IUPAC name of 4-(furan-2-yl)benzenecarboximidamide (CID 11286893) is 4-(furan-2-yl)benzenecarboximidamide.
What is the SMILES notation for 4-(furan-2-yl)benzenecarboximidamide?
The canonical SMILES for 4-(furan-2-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)benzenecarboximidamide?
The InChIKey is ZKDPTDQAACMGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H,(H3,12,13).
What are the key properties of 4-(furan-2-yl)benzenecarboximidamide?
4-(furan-2-yl)benzenecarboximidamide has a molecular weight of 186.21 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)benzenecarboximidamide is sourced from PubChem (CID 11286893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).