2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide

C10H9F2N3O — CID 103515060

IUPAC2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(NC(=O)C(F)F)cc2[nH]1
InChIInChI=1S/C10H9F2N3O/c1-5-13-7-3-2-6(4-8(7)14-5)15-10(16)9(11)12/h2-4,9H,1H3,(H,13,14)(H,15,16)
InChIKeyXQDNVCKEKBVZTL-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.07
Rot. Bonds2

About 2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide

2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 103515060) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
PubChem CID103515060
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(NC(=O)C(F)F)cc2[nH]1
InChIInChI=1S/C10H9F2N3O/c1-5-13-7-3-2-6(4-8(7)14-5)15-10(16)9(11)12/h2-4,9H,1H3,(H,13,14)(H,15,16)
InChIKeyXQDNVCKEKBVZTL-UHFFFAOYSA-N
XLogP2.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79195442
(2S)-2-amino-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79024217
2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115187183
2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116675730
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60860935
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79797650
2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
CID 60707578
(2R)-N-(2-methyl-3H-benzimidazol-5-yl)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 92604255
4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79204355

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide (CID 103515060) is 2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide is Cc1nc2ccc(NC(=O)C(F)F)cc2[nH]1.
What is the InChIKey of 2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is XQDNVCKEKBVZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-5-13-7-3-2-6(4-8(7)14-5)15-10(16)9(11)12/h2-4,9H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 225.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 103515060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).