(3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C17H19F3N4O2 — CID 97151495

IUPAC(3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)NCc2nc3cc(C(F)(F)F)ccc3n2C)CC1=O
InChIInChI=1S/C17H19F3N4O2/c1-3-24-9-10(6-15(24)25)16(26)21-8-14-22-12-7-11(17(18,19)20)4-5-13(12)23(14)2/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,21,26)/t10-/m1/s1
InChIKeyKDOAZVQPAWWAKG-SNVBAGLBSA-N
MW368.36 g/mol
LogP2.08
Rot. Bonds4

About (3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97151495) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is (3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97151495
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name(3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)NCc2nc3cc(C(F)(F)F)ccc3n2C)CC1=O
InChIInChI=1S/C17H19F3N4O2/c1-3-24-9-10(6-15(24)25)16(26)21-8-14-22-12-7-11(17(18,19)20)4-5-13(12)23(14)2/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,21,26)/t10-/m1/s1
InChIKeyKDOAZVQPAWWAKG-SNVBAGLBSA-N
XLogP2.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide
CID 118778674
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine
CID 80711654
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide
CID 118775554
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138808486
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70788556
2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole
CID 131948620
N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 66171296
N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113258530
N-(2-cyclopropyl-2-hydroxyethyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 63294241
N-[(3-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55738809
N-[(4-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46489423
(3S)-N-benzyl-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018032

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 97151495) is (3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is CCN1C[C@H](C(=O)NCc2nc3cc(C(F)(F)F)ccc3n2C)CC1=O.
What is the InChIKey of (3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KDOAZVQPAWWAKG-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-3-24-9-10(6-15(24)25)16(26)21-8-14-22-12-7-11(17(18,19)20)4-5-13(12)23(14)2/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,21,26)/t10-/m1/s1.
What are the key properties of (3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97151495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).