N'-[(4-chlorophenyl)methyl]-3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanimidamide

C20H21ClN4 — CID 23368240

IUPACN'-[(4-chlorophenyl)methyl]-3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanimidamide
SMILESN/C(CCc1ccc(Cc2cnc[nH]2)cc1)=N\Cc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4/c21-18-8-5-17(6-9-18)12-24-20(22)10-7-15-1-3-16(4-2-15)11-19-13-23-14-25-19/h1-6,8-9,13-14H,7,10-12H2,(H2,22,24)(H,23,25)
InChIKeyVKLYSWIHCLFRGU-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.14
Rot. Bonds7

About N'-[(4-chlorophenyl)methyl]-3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanimidamide

N'-[(4-chlorophenyl)methyl]-3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanimidamide (PubChem CID 23368240) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanimidamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanimidamide
PubChem CID23368240
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC NameN'-[(4-chlorophenyl)methyl]-3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanimidamide
SMILESN/C(CCc1ccc(Cc2cnc[nH]2)cc1)=N\Cc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4/c21-18-8-5-17(6-9-18)12-24-20(22)10-7-15-1-3-16(4-2-15)11-19-13-23-14-25-19/h1-6,8-9,13-14H,7,10-12H2,(H2,22,24)(H,23,25)
InChIKeyVKLYSWIHCLFRGU-UHFFFAOYSA-N
XLogP4.14
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.14
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

Clobenpropit
CID 2790
4-(4-Chlorophenyl)Imidazole
CID 448632
Lofemizole
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N-(3,5-dichlorophenyl)-N'-((4-(1H-imidazol-4-ylmethyl)phenyl)methyl)urea
CID 9801743
Methylhistaprodifen
CID 10403687
Histaprodifen
CID 10447834
2,4-Diphenylimidazole
CID 296732
Imidazolylmethylenetetrahydronaphthalene 6a
CID 6540037
2-Hexyl-5-[4-(2-methylpropyl)phenyl]-1H-imidazole
CID 9795821
2-hexyl-5-(4-phenylphenyl)-1H-imidazole
CID 9922499
2-heptan-4-yl-5-(4-phenylphenyl)-1H-imidazole
CID 9923013
2-(cyclohexylmethyl)-5-(4-phenylphenyl)-1H-imidazole
CID 9966703

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanimidamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanimidamide (CID 23368240) is N'-[(4-chlorophenyl)methyl]-3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanimidamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanimidamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanimidamide is N/C(CCc1ccc(Cc2cnc[nH]2)cc1)=N\Cc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanimidamide?
The InChIKey is VKLYSWIHCLFRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c21-18-8-5-17(6-9-18)12-24-20(22)10-7-15-1-3-16(4-2-15)11-19-13-23-14-25-19/h1-6,8-9,13-14H,7,10-12H2,(H2,22,24)(H,23,25).
What are the key properties of N'-[(4-chlorophenyl)methyl]-3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanimidamide?
N'-[(4-chlorophenyl)methyl]-3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanimidamide has a molecular weight of 352.87 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-3-[4-(1H-imidazol-5-ylmethyl)phenyl]propanimidamide is sourced from PubChem (CID 23368240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).