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

C18H17ClN4 — CID 10087654

IUPACN'-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\Cc1ccc(Cl)cc1)c1ccc(Cc2cnc[nH]2)cc1
InChIInChI=1S/C18H17ClN4/c19-16-7-3-14(4-8-16)10-22-18(20)15-5-1-13(2-6-15)9-17-11-21-12-23-17/h1-8,11-12H,9-10H2,(H2,20,22)(H,21,23)
InChIKeyPFKNJJYPVQIPMM-UHFFFAOYSA-N
MW324.82 g/mol
LogP3.56
Rot. Bonds5

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

N'-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethyl)benzenecarboximidamide (PubChem CID 10087654) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethyl)benzenecarboximidamide
PubChem CID10087654
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC NameN'-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\Cc1ccc(Cl)cc1)c1ccc(Cc2cnc[nH]2)cc1
InChIInChI=1S/C18H17ClN4/c19-16-7-3-14(4-8-16)10-22-18(20)15-5-1-13(2-6-15)9-17-11-21-12-23-17/h1-8,11-12H,9-10H2,(H2,20,22)(H,21,23)
InChIKeyPFKNJJYPVQIPMM-UHFFFAOYSA-N
XLogP3.56
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 53.56
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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Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethyl)benzenecarboximidamide (CID 10087654) is N'-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethyl)benzenecarboximidamide is N/C(=N\Cc1ccc(Cl)cc1)c1ccc(Cc2cnc[nH]2)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethyl)benzenecarboximidamide?
The InChIKey is PFKNJJYPVQIPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c19-16-7-3-14(4-8-16)10-22-18(20)15-5-1-13(2-6-15)9-17-11-21-12-23-17/h1-8,11-12H,9-10H2,(H2,20,22)(H,21,23).
What are the key properties of N'-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethyl)benzenecarboximidamide?
N'-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethyl)benzenecarboximidamide has a molecular weight of 324.82 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 10087654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).