2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide

C12H13F3N4O — CID 79797650

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
SMILESCc1nc2ccc(NC(=O)C(C)(N)C(F)(F)F)cc2[nH]1
InChIInChI=1S/C12H13F3N4O/c1-6-17-8-4-3-7(5-9(8)18-6)19-10(20)11(2,16)12(13,14)15/h3-5H,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFOWLRQPCWXPRJL-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.09
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide (PubChem CID 79797650) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
PubChem CID79797650
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
SMILESCc1nc2ccc(NC(=O)C(C)(N)C(F)(F)F)cc2[nH]1
InChIInChI=1S/C12H13F3N4O/c1-6-17-8-4-3-7(5-9(8)18-6)19-10(20)11(2,16)12(13,14)15/h3-5H,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFOWLRQPCWXPRJL-UHFFFAOYSA-N
XLogP2.09
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115156908
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 79796818
2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 103515060
3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine
CID 115200406
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 116915401
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
3-[(2-methyl-3H-benzimidazol-5-yl)amino]propanoic acid
CID 82493805
(2S)-2-amino-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79024217
2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60860935
N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
CID 79790594
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide (CID 79797650) is 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide is Cc1nc2ccc(NC(=O)C(C)(N)C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The InChIKey is FOWLRQPCWXPRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-6-17-8-4-3-7(5-9(8)18-6)19-10(20)11(2,16)12(13,14)15/h3-5H,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide has a molecular weight of 286.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 79797650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).