3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide

C19H19F3N4O3 — CID 154805694

IUPAC3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2ccc(C(=O)NC(C)(C)COc3ncccc3C(F)(F)F)cc21
InChIInChI=1S/C19H19F3N4O3/c1-18(2,10-29-16-12(19(20,21)22)5-4-8-23-16)25-15(27)11-6-7-13-14(9-11)26(3)17(28)24-13/h4-9H,10H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyUMBGFHNTEMLUDV-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.87
Rot. Bonds5

About 3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide

3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide (PubChem CID 154805694) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide
PubChem CID154805694
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2ccc(C(=O)NC(C)(C)COc3ncccc3C(F)(F)F)cc21
InChIInChI=1S/C19H19F3N4O3/c1-18(2,10-29-16-12(19(20,21)22)5-4-8-23-16)25-15(27)11-6-7-13-14(9-11)26(3)17(28)24-13/h4-9H,10H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyUMBGFHNTEMLUDV-UHFFFAOYSA-N
XLogP2.87
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-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

Related Compounds

3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid
CID 120531806
[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea
CID 75505421
N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide
CID 154856649
1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 174335230
2,2-dimethyl-N-[(3S,4R)-4-methylpyrrolidin-3-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2-dimethyl-N-[(3R,4S)-4-methylpyrrolidin-3-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 162010496
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 158839234
2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide
CID 166072132
4-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]thiane-4-carboxylic acid
CID 120531201
1-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120512737
2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,3,3-trimethylpiperidin-4-yl)propanamide
CID 146402372
N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146401832
N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 71885632

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide (CID 154805694) is 3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide is Cn1c(=O)[nH]c2ccc(C(=O)NC(C)(C)COc3ncccc3C(F)(F)F)cc21.
What is the InChIKey of 3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide?
The InChIKey is UMBGFHNTEMLUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-18(2,10-29-16-12(19(20,21)22)5-4-8-23-16)25-15(27)11-6-7-13-14(9-11)26(3)17(28)24-13/h4-9H,10H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide?
3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 154805694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).