N-cyclopropyl-5-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide

C17H14F3N3OS — CID 70687451

IUPACN-cyclopropyl-5-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide
SMILESCc1nc2cc(C(F)(F)F)ccc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C17H14F3N3OS/c1-9-21-12-8-10(17(18,19)20)2-5-13(12)23(9)15-7-6-14(25-15)16(24)22-11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,22,24)
InChIKeyKQUWFTFWWIPMAD-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.31
Rot. Bonds3

About N-cyclopropyl-5-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide

N-cyclopropyl-5-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide (PubChem CID 70687451) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is N-cyclopropyl-5-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide
PubChem CID70687451
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC NameN-cyclopropyl-5-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide
SMILESCc1nc2cc(C(F)(F)F)ccc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C17H14F3N3OS/c1-9-21-12-8-10(17(18,19)20)2-5-13(12)23(9)15-7-6-14(25-15)16(24)22-11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,22,24)
InChIKeyKQUWFTFWWIPMAD-UHFFFAOYSA-N
XLogP4.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide (CID 70687451) is N-cyclopropyl-5-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide is Cc1nc2cc(C(F)(F)F)ccc2n1-c1ccc(C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide?
The InChIKey is KQUWFTFWWIPMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-9-21-12-8-10(17(18,19)20)2-5-13(12)23(9)15-7-6-14(25-15)16(24)22-11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,22,24).
What are the key properties of N-cyclopropyl-5-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide?
N-cyclopropyl-5-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 70687451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).