N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide

C14H14F3N3OS — CID 146104746

IUPACN-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide
SMILESO=C(NCc1nc2c([nH]1)CCCC2)c1cscc1C(F)(F)F
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)9-7-22-6-8(9)13(21)18-5-12-19-10-3-1-2-4-11(10)20-12/h6-7H,1-5H2,(H,18,21)(H,19,20)
InChIKeyYTUOWHOOGOZSMB-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.30
Rot. Bonds3

About N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide

N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide (PubChem CID 146104746) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide
PubChem CID146104746
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC NameN-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide
SMILESO=C(NCc1nc2c([nH]1)CCCC2)c1cscc1C(F)(F)F
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)9-7-22-6-8(9)13(21)18-5-12-19-10-3-1-2-4-11(10)20-12/h6-7H,1-5H2,(H,18,21)(H,19,20)
InChIKeyYTUOWHOOGOZSMB-UHFFFAOYSA-N
XLogP3.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-(trifluoromethyl)thiophene-3-carboxamide
CID 132323483
4-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide
CID 146104748
2-(difluoromethyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-3-carboxamide
CID 154789928
N-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide
CID 79796352
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 113081473

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide (CID 146104746) is N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide is O=C(NCc1nc2c([nH]1)CCCC2)c1cscc1C(F)(F)F.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide?
The InChIKey is YTUOWHOOGOZSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c15-14(16,17)9-7-22-6-8(9)13(21)18-5-12-19-10-3-1-2-4-11(10)20-12/h6-7H,1-5H2,(H,18,21)(H,19,20).
What are the key properties of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide?
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide has a molecular weight of 329.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide is sourced from PubChem (CID 146104746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).