4-(1H-imidazol-5-ylmethyl)-N'-[(4-methoxyphenyl)methyl]benzenecarboximidamide

C19H20N4O — CID 23368254

IUPAC4-(1H-imidazol-5-ylmethyl)-N'-[(4-methoxyphenyl)methyl]benzenecarboximidamide
SMILESCOc1ccc(C/N=C(\N)c2ccc(Cc3cnc[nH]3)cc2)cc1
InChIInChI=1S/C19H20N4O/c1-24-18-8-4-15(5-9-18)11-22-19(20)16-6-2-14(3-7-16)10-17-12-21-13-23-17/h2-9,12-13H,10-11H2,1H3,(H2,20,22)(H,21,23)
InChIKeyKOLKLOSMRZWMDM-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.91
Rot. Bonds6

About 4-(1H-imidazol-5-ylmethyl)-N'-[(4-methoxyphenyl)methyl]benzenecarboximidamide

4-(1H-imidazol-5-ylmethyl)-N'-[(4-methoxyphenyl)methyl]benzenecarboximidamide (PubChem CID 23368254) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)-N'-[(4-methoxyphenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethyl)-N'-[(4-methoxyphenyl)methyl]benzenecarboximidamide
PubChem CID23368254
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-(1H-imidazol-5-ylmethyl)-N'-[(4-methoxyphenyl)methyl]benzenecarboximidamide
SMILESCOc1ccc(C/N=C(\N)c2ccc(Cc3cnc[nH]3)cc2)cc1
InChIInChI=1S/C19H20N4O/c1-24-18-8-4-15(5-9-18)11-22-19(20)16-6-2-14(3-7-16)10-17-12-21-13-23-17/h2-9,12-13H,10-11H2,1H3,(H2,20,22)(H,21,23)
InChIKeyKOLKLOSMRZWMDM-UHFFFAOYSA-N
XLogP2.91
TPSA76.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethyl)-N'-[(4-methoxyphenyl)methyl]benzenecarboximidamide?
The IUPAC name of 4-(1H-imidazol-5-ylmethyl)-N'-[(4-methoxyphenyl)methyl]benzenecarboximidamide (CID 23368254) is 4-(1H-imidazol-5-ylmethyl)-N'-[(4-methoxyphenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)-N'-[(4-methoxyphenyl)methyl]benzenecarboximidamide?
The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)-N'-[(4-methoxyphenyl)methyl]benzenecarboximidamide is COc1ccc(C/N=C(\N)c2ccc(Cc3cnc[nH]3)cc2)cc1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)-N'-[(4-methoxyphenyl)methyl]benzenecarboximidamide?
The InChIKey is KOLKLOSMRZWMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-24-18-8-4-15(5-9-18)11-22-19(20)16-6-2-14(3-7-16)10-17-12-21-13-23-17/h2-9,12-13H,10-11H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 4-(1H-imidazol-5-ylmethyl)-N'-[(4-methoxyphenyl)methyl]benzenecarboximidamide?
4-(1H-imidazol-5-ylmethyl)-N'-[(4-methoxyphenyl)methyl]benzenecarboximidamide has a molecular weight of 320.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethyl)-N'-[(4-methoxyphenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 23368254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).