N-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide

C27H24FN3O — CID 126765692

IUPACN-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide
SMILESC=CCn1c(NC(=O)c2ccccc2F)nc(Cc2ccccc2)c1-c1ccc(C)cc1
InChIInChI=1S/C27H24FN3O/c1-3-17-31-25(21-15-13-19(2)14-16-21)24(18-20-9-5-4-6-10-20)29-27(31)30-26(32)22-11-7-8-12-23(22)28/h3-16H,1,17-18H2,2H3,(H,29,30,32)
InChIKeySUICMVJNHORZLP-UHFFFAOYSA-N
MW425.51 g/mol
LogP6.03
Rot. Bonds7

About N-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide

N-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide (PubChem CID 126765692) has the molecular formula C27H24FN3O and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide
PubChem CID126765692
Molecular FormulaC27H24FN3O
Molecular Weight425.51 g/mol
Exact Mass425.19
IUPAC NameN-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide
SMILESC=CCn1c(NC(=O)c2ccccc2F)nc(Cc2ccccc2)c1-c1ccc(C)cc1
InChIInChI=1S/C27H24FN3O/c1-3-17-31-25(21-15-13-19(2)14-16-21)24(18-20-9-5-4-6-10-20)29-27(31)30-26(32)22-11-7-8-12-23(22)28/h3-16H,1,17-18H2,2H3,(H,29,30,32)
InChIKeySUICMVJNHORZLP-UHFFFAOYSA-N
XLogP6.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide (CID 126765692) is N-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide is C=CCn1c(NC(=O)c2ccccc2F)nc(Cc2ccccc2)c1-c1ccc(C)cc1.
What is the InChIKey of N-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide?
The InChIKey is SUICMVJNHORZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O/c1-3-17-31-25(21-15-13-19(2)14-16-21)24(18-20-9-5-4-6-10-20)29-27(31)30-26(32)22-11-7-8-12-23(22)28/h3-16H,1,17-18H2,2H3,(H,29,30,32).
What are the key properties of N-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide?
N-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide has a molecular weight of 425.51 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-benzyl-5-(4-methylphenyl)-1-prop-2-enylimidazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 126765692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).