N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C17H25F3N4O — CID 128981165

IUPACN-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CCCC1c1nc2c(n1C)CCCC2
InChIInChI=1S/C17H25F3N4O/c1-22(11-17(18,19)20)15(25)10-24-9-5-8-14(24)16-21-12-6-3-4-7-13(12)23(16)2/h14H,3-11H2,1-2H3
InChIKeyYDVZTVVVQZUCCU-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.46
Rot. Bonds4

About N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 128981165) has the molecular formula C17H25F3N4O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID128981165
Molecular FormulaC17H25F3N4O
Molecular Weight358.41 g/mol
Exact Mass358.20
IUPAC NameN-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CCCC1c1nc2c(n1C)CCCC2
InChIInChI=1S/C17H25F3N4O/c1-22(11-17(18,19)20)15(25)10-24-9-5-8-14(24)16-21-12-6-3-4-7-13(12)23(16)2/h14H,3-11H2,1-2H3
InChIKeyYDVZTVVVQZUCCU-UHFFFAOYSA-N
XLogP2.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 128981165) is N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CN1CCCC1c1nc2c(n1C)CCCC2.
What is the InChIKey of N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YDVZTVVVQZUCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O/c1-22(11-17(18,19)20)15(25)10-24-9-5-8-14(24)16-21-12-6-3-4-7-13(12)23(16)2/h14H,3-11H2,1-2H3.
What are the key properties of N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 358.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 128981165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).