(2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C17H18F3N5O — CID 35528656

IUPAC(2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1nc2ccccc2n1C
InChIInChI=1S/C17H18F3N5O/c1-10(9-25-11(2)8-14(23-25)17(18,19)20)15(26)22-16-21-12-6-4-5-7-13(12)24(16)3/h4-8,10H,9H2,1-3H3,(H,21,22,26)/t10-/m1/s1
InChIKeyCQCZWEVTKNTAOU-SNVBAGLBSA-N
MW365.36 g/mol
LogP3.37
Rot. Bonds4

About (2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

(2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 35528656) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is (2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID35528656
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC Name(2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1nc2ccccc2n1C
InChIInChI=1S/C17H18F3N5O/c1-10(9-25-11(2)8-14(23-25)17(18,19)20)15(26)22-16-21-12-6-4-5-7-13(12)24(16)3/h4-8,10H,9H2,1-3H3,(H,21,22,26)/t10-/m1/s1
InChIKeyCQCZWEVTKNTAOU-SNVBAGLBSA-N
XLogP3.37
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyphenyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566347
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 19568517
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide
CID 19570611
N-(3,4-dichlorophenyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566376
2-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566540
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide
CID 19566440
(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 7017099
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566637
(2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 35528025
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 35528028
(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51391479
N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 4868032

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of (2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 35528656) is (2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for (2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for (2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1nc2ccccc2n1C.
What is the InChIKey of (2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is CQCZWEVTKNTAOU-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18F3N5O/c1-10(9-25-11(2)8-14(23-25)17(18,19)20)15(26)22-16-21-12-6-4-5-7-13(12)24(16)3/h4-8,10H,9H2,1-3H3,(H,21,22,26)/t10-/m1/s1.
What are the key properties of (2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
(2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 365.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 35528656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).