5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide

C17H17F2N3O2S — CID 137453507

IUPAC5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide
SMILESCCOc1ccc2ncn(C)c2c1CNC(=O)c1csc(C(F)F)c1
InChIInChI=1S/C17H17F2N3O2S/c1-3-24-13-5-4-12-15(22(2)9-21-12)11(13)7-20-17(23)10-6-14(16(18)19)25-8-10/h4-6,8-9,16H,3,7H2,1-2H3,(H,20,23)
InChIKeyLUPQJTRFWQZUNA-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.90
Rot. Bonds6

About 5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide

5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide (PubChem CID 137453507) has the molecular formula C17H17F2N3O2S and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide
PubChem CID137453507
Molecular FormulaC17H17F2N3O2S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide
SMILESCCOc1ccc2ncn(C)c2c1CNC(=O)c1csc(C(F)F)c1
InChIInChI=1S/C17H17F2N3O2S/c1-3-24-13-5-4-12-15(22(2)9-21-12)11(13)7-20-17(23)10-6-14(16(18)19)25-8-10/h4-6,8-9,16H,3,7H2,1-2H3,(H,20,23)
InChIKeyLUPQJTRFWQZUNA-UHFFFAOYSA-N
XLogP3.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide
CID 137453703
N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide
CID 146590734
[5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol
CID 162616203
4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide
CID 137453588
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4,5-dimethylbenzamide
CID 137453630
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 137453498
4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 137453696
3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide
CID 137453632
N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 137453592
4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide
CID 137453489
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75499936
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide (CID 137453507) is 5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide is CCOc1ccc2ncn(C)c2c1CNC(=O)c1csc(C(F)F)c1.
What is the InChIKey of 5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide?
The InChIKey is LUPQJTRFWQZUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2S/c1-3-24-13-5-4-12-15(22(2)9-21-12)11(13)7-20-17(23)10-6-14(16(18)19)25-8-10/h4-6,8-9,16H,3,7H2,1-2H3,(H,20,23).
What are the key properties of 5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide?
5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 137453507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).