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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).