N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide

C17H21F3N4O2 — CID 91841146

IUPACN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C17H21F3N4O2/c1-9(2)24-7-13(14(8-24)26-3)21-15(25)10-4-5-11-12(6-10)23-16(22-11)17(18,19)20/h4-6,9,13-14H,7-8H2,1-3H3,(H,21,25)(H,22,23)/t13-,14-/m0/s1
InChIKeyIMPFLHMVTSOSGH-KBPBESRZSA-N
MW370.38 g/mol
LogP2.42
Rot. Bonds4

About N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide

N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 91841146) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
PubChem CID91841146
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C17H21F3N4O2/c1-9(2)24-7-13(14(8-24)26-3)21-15(25)10-4-5-11-12(6-10)23-16(22-11)17(18,19)20/h4-6,9,13-14H,7-8H2,1-3H3,(H,21,25)(H,22,23)/t13-,14-/m0/s1
InChIKeyIMPFLHMVTSOSGH-KBPBESRZSA-N
XLogP2.42
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide
CID 118792832
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide
CID 70765038
1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone
CID 83450578
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide
CID 118782906
2-(trifluoromethyl)-3H-benzimidazole-5-carboxylic acid;hydrate
CID 21216041
5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 133260540
N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71690232
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 95741069
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 118767754
4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
CID 45494073
N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71689923
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 118784158

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide (CID 91841146) is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide is CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1.
What is the InChIKey of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is IMPFLHMVTSOSGH-KBPBESRZSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-9(2)24-7-13(14(8-24)26-3)21-15(25)10-4-5-11-12(6-10)23-16(22-11)17(18,19)20/h4-6,9,13-14H,7-8H2,1-3H3,(H,21,25)(H,22,23)/t13-,14-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91841146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).