N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide

C28H28FN3OS — CID 5137693

IUPACN-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide
SMILESCCCn1c(SCCCNC(=O)c2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H28FN3OS/c1-2-19-32-26(22-12-7-4-8-13-22)25(21-10-5-3-6-11-21)31-28(32)34-20-9-18-30-27(33)23-14-16-24(29)17-15-23/h3-8,10-17H,2,9,18-20H2,1H3,(H,30,33)
InChIKeyBJEXUDCVNKZFBA-UHFFFAOYSA-N
MW473.62 g/mol
LogP6.68
Rot. Bonds10

About N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide

N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide (PubChem CID 5137693) has the molecular formula C28H28FN3OS and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide
PubChem CID5137693
Molecular FormulaC28H28FN3OS
Molecular Weight473.62 g/mol
Exact Mass473.19
IUPAC NameN-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide
SMILESCCCn1c(SCCCNC(=O)c2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H28FN3OS/c1-2-19-32-26(22-12-7-4-8-13-22)25(21-10-5-3-6-11-21)31-28(32)34-20-9-18-30-27(33)23-14-16-24(29)17-15-23/h3-8,10-17H,2,9,18-20H2,1H3,(H,30,33)
InChIKeyBJEXUDCVNKZFBA-UHFFFAOYSA-N
XLogP6.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-4-pentylbenzamide
CID 4534418
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-2-ethylhexanamide
CID 3880800
4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide
CID 42725819
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide
CID 4683494
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide
CID 3693436
N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]-3,4-dichlorobenzamide
CID 3925766
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide
CID 4598750
2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole
CID 3798862
4-tert-butyl-N-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]benzamide
CID 42657918
N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-4-butylbenzamide
CID 4543196
N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide
CID 3892183
N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide
CID 4553350

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide?
The IUPAC name of N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide (CID 5137693) is N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide is CCCn1c(SCCCNC(=O)c2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide?
The InChIKey is BJEXUDCVNKZFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3OS/c1-2-19-32-26(22-12-7-4-8-13-22)25(21-10-5-3-6-11-21)31-28(32)34-20-9-18-30-27(33)23-14-16-24(29)17-15-23/h3-8,10-17H,2,9,18-20H2,1H3,(H,30,33).
What are the key properties of N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide?
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide has a molecular weight of 473.62 g/mol, XLogP of 6.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide is sourced from PubChem (CID 5137693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).