4-[(4-fluorophenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide

C22H20FN3O2S — CID 19469504

IUPAC4-[(4-fluorophenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCCCn1c(NC(=O)c2cc(COc3ccc(F)cc3)cs2)nc2ccccc21
InChIInChI=1S/C22H20FN3O2S/c1-2-11-26-19-6-4-3-5-18(19)24-22(26)25-21(27)20-12-15(14-29-20)13-28-17-9-7-16(23)8-10-17/h3-10,12,14H,2,11,13H2,1H3,(H,24,25,27)
InChIKeyQGUBFVRFYHMXKU-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.48
Rot. Bonds7

About 4-[(4-fluorophenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide

4-[(4-fluorophenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide (PubChem CID 19469504) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
PubChem CID19469504
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC Name4-[(4-fluorophenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCCCn1c(NC(=O)c2cc(COc3ccc(F)cc3)cs2)nc2ccccc21
InChIInChI=1S/C22H20FN3O2S/c1-2-11-26-19-6-4-3-5-18(19)24-22(26)25-21(27)20-12-15(14-29-20)13-28-17-9-7-16(23)8-10-17/h3-10,12,14H,2,11,13H2,1H3,(H,24,25,27)
InChIKeyQGUBFVRFYHMXKU-UHFFFAOYSA-N
XLogP5.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-methoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxamide
CID 10253033
5-(1H-benzimidazol-1-yl)-3-[(4-methylbenzyl)oxy]-2-thiophenecarboxamide
CID 25190911
5-(1H-benzimidazol-1-yl)-3-benzyloxy-2-thiophenecarboxamide
CID 25263074
5-(1H-benzimidazol-1-yl)-3-[(2-methylbenzyl)oxy]-2-thiophenecarboxamide
CID 25263075
5-(1H-benzimidazol-1-yl)-3-[(3-methylbenzyl)oxy]-2-thiophenecarboxamide
CID 25263076
5-(1H-benzimidazol-1-yl)-3-[(3-methoxybenzyl)oxy]-2-thiophenecarboxamide
CID 25263078
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-phenoxythiophene-2-carboxamide
CID 25190525
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(benzyloxy)thiophene-2-carboxamide
CID 25190526
2-Aminobenzimidazole with trans-stilbene, 8h
CID 25190552
2-Aminobenzimidazole with trans-stilbene, 8i
CID 25190553
2-Aminobenzimidazole with trans-stilbene, 8j
CID 25190554
5-(1H-1,3-benzodiazol-1-yl)-3-[(2-methoxyphenyl)methoxy]thiophene-2-carboxamide
CID 25263077

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide (CID 19469504) is 4-[(4-fluorophenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide is CCCn1c(NC(=O)c2cc(COc3ccc(F)cc3)cs2)nc2ccccc21.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
The InChIKey is QGUBFVRFYHMXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c1-2-11-26-19-6-4-3-5-18(19)24-22(26)25-21(27)20-12-15(14-29-20)13-28-17-9-7-16(23)8-10-17/h3-10,12,14H,2,11,13H2,1H3,(H,24,25,27).
What are the key properties of 4-[(4-fluorophenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
4-[(4-fluorophenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 19469504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).