N-[[3-(4-fluorophenyl)thiophen-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

C23H20FN3O2S — CID 66790736

IUPACN-[[3-(4-fluorophenyl)thiophen-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NCc2sccc2-c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H20FN3O2S/c1-15-13-27(14-26-15)20-8-5-17(11-21(20)29-2)23(28)25-12-22-19(9-10-30-22)16-3-6-18(24)7-4-16/h3-11,13-14H,12H2,1-2H3,(H,25,28)
InChIKeyRJUFMNNTFCMEGK-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.99
Rot. Bonds6

About N-[[3-(4-fluorophenyl)thiophen-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

N-[[3-(4-fluorophenyl)thiophen-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (PubChem CID 66790736) has the molecular formula C23H20FN3O2S and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)thiophen-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)thiophen-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
PubChem CID66790736
Molecular FormulaC23H20FN3O2S
Molecular Weight421.50 g/mol
Exact Mass421.13
IUPAC NameN-[[3-(4-fluorophenyl)thiophen-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NCc2sccc2-c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H20FN3O2S/c1-15-13-27(14-26-15)20-8-5-17(11-21(20)29-2)23(28)25-12-22-19(9-10-30-22)16-3-6-18(24)7-4-16/h3-11,13-14H,12H2,1-2H3,(H,25,28)
InChIKeyRJUFMNNTFCMEGK-UHFFFAOYSA-N
XLogP4.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)thiophen-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The IUPAC name of N-[[3-(4-fluorophenyl)thiophen-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (CID 66790736) is N-[[3-(4-fluorophenyl)thiophen-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)thiophen-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)thiophen-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is COc1cc(C(=O)NCc2sccc2-c2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[[3-(4-fluorophenyl)thiophen-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The InChIKey is RJUFMNNTFCMEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2S/c1-15-13-27(14-26-15)20-8-5-17(11-21(20)29-2)23(28)25-12-22-19(9-10-30-22)16-3-6-18(24)7-4-16/h3-11,13-14H,12H2,1-2H3,(H,25,28).
What are the key properties of N-[[3-(4-fluorophenyl)thiophen-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
N-[[3-(4-fluorophenyl)thiophen-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide has a molecular weight of 421.50 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)thiophen-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 66790736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).