N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide

C16H14F3N3OS — CID 146590734

IUPACN-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide
SMILESCc1ccc2ncn(C)c2c1CNC(=O)c1csc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3OS/c1-9-3-4-12-14(22(2)8-21-12)11(9)6-20-15(23)10-5-13(24-7-10)16(17,18)19/h3-5,7-8H,6H2,1-2H3,(H,20,23)
InChIKeyBBHWKQOPRJWFJB-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.89
Rot. Bonds3

About N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide

N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide (PubChem CID 146590734) has the molecular formula C16H14F3N3OS and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide
PubChem CID146590734
Molecular FormulaC16H14F3N3OS
Molecular Weight353.37 g/mol
Exact Mass353.08
IUPAC NameN-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide
SMILESCc1ccc2ncn(C)c2c1CNC(=O)c1csc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3OS/c1-9-3-4-12-14(22(2)8-21-12)11(9)6-20-15(23)10-5-13(24-7-10)16(17,18)19/h3-5,7-8H,6H2,1-2H3,(H,20,23)
InChIKeyBBHWKQOPRJWFJB-UHFFFAOYSA-N
XLogP3.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide
CID 137453703
5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide
CID 137453507
3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide
CID 137453632
4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 137453696
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4,5-dimethylbenzamide
CID 137453630
4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide
CID 137453489
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 137453498
N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 110834051
4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide
CID 137453588
N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide
CID 71844437
3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 146590763

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide?
The IUPAC name of N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide (CID 146590734) is N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide is Cc1ccc2ncn(C)c2c1CNC(=O)c1csc(C(F)(F)F)c1.
What is the InChIKey of N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide?
The InChIKey is BBHWKQOPRJWFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3OS/c1-9-3-4-12-14(22(2)8-21-12)11(9)6-20-15(23)10-5-13(24-7-10)16(17,18)19/h3-5,7-8H,6H2,1-2H3,(H,20,23).
What are the key properties of N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide?
N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide is sourced from PubChem (CID 146590734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).