2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide

C16H16F3N3O — CID 113081654

IUPAC2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
SMILESCn1c(CNC(=O)c2ccc(F)c(F)c2F)nc2c1CCCC2
InChIInChI=1S/C16H16F3N3O/c1-22-12-5-3-2-4-11(12)21-13(22)8-20-16(23)9-6-7-10(17)15(19)14(9)18/h6-7H,2-5,8H2,1H3,(H,20,23)
InChIKeyLAFZKCUOJWDQLN-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.65
Rot. Bonds3

About 2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide

2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide (PubChem CID 113081654) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
PubChem CID113081654
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
SMILESCn1c(CNC(=O)c2ccc(F)c(F)c2F)nc2c1CCCC2
InChIInChI=1S/C16H16F3N3O/c1-22-12-5-3-2-4-11(12)21-13(22)8-20-16(23)9-6-7-10(17)15(19)14(9)18/h6-7H,2-5,8H2,1H3,(H,20,23)
InChIKeyLAFZKCUOJWDQLN-UHFFFAOYSA-N
XLogP2.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide (CID 113081654) is 2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide is Cn1c(CNC(=O)c2ccc(F)c(F)c2F)nc2c1CCCC2.
What is the InChIKey of 2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide?
The InChIKey is LAFZKCUOJWDQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-22-12-5-3-2-4-11(12)21-13(22)8-20-16(23)9-6-7-10(17)15(19)14(9)18/h6-7H,2-5,8H2,1H3,(H,20,23).
What are the key properties of 2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide?
2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide has a molecular weight of 323.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 113081654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).