2-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C11H14F3N3O — CID 90640570

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NCC(F)(F)F)CC2
InChIInChI=1S/C11H14F3N3O/c1-6-16-8-3-2-7(4-9(8)17-6)10(18)15-5-11(12,13)14/h7H,2-5H2,1H3,(H,15,18)(H,16,17)
InChIKeyLWJRLPHLUGYHSL-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.50
Rot. Bonds2

About 2-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

2-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640570) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640570
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NCC(F)(F)F)CC2
InChIInChI=1S/C11H14F3N3O/c1-6-16-8-3-2-7(4-9(8)17-6)10(18)15-5-11(12,13)14/h7H,2-5H2,1H3,(H,15,18)(H,16,17)
InChIKeyLWJRLPHLUGYHSL-UHFFFAOYSA-N
XLogP1.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640570) is 2-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)CC(C(=O)NCC(F)(F)F)CC2.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is LWJRLPHLUGYHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-6-16-8-3-2-7(4-9(8)17-6)10(18)15-5-11(12,13)14/h7H,2-5H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
2-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).