2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide

C12H14F2N4O — CID 115508683

IUPAC2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C12H14F2N4O/c1-6(2)16-10(19)5-18-9-4-7(13)3-8(14)11(9)17-12(18)15/h3-4,6H,5H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyJPDGFCPPKNXBFI-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.42
Rot. Bonds3

About 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide

2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide (PubChem CID 115508683) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide
PubChem CID115508683
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C12H14F2N4O/c1-6(2)16-10(19)5-18-9-4-7(13)3-8(14)11(9)17-12(18)15/h3-4,6H,5H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyJPDGFCPPKNXBFI-UHFFFAOYSA-N
XLogP1.42
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
CID 115508892
4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143532
methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate
CID 113325619
methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-methylbutanoate
CID 115508780
4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115508787
methyl 2-[2-(1-chloroethyl)-4,6-difluorobenzimidazol-1-yl]acetate
CID 113325656
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
CID 113325607
2-[2-(1-chloroethyl)-4,6-difluorobenzimidazol-1-yl]ethyl carbamate
CID 83205268
methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate
CID 60789228
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide
CID 82359124
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
CID 82359191
4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine
CID 115508797

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide (CID 115508683) is 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(N)nc2c(F)cc(F)cc21.
What is the InChIKey of 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is JPDGFCPPKNXBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c1-6(2)16-10(19)5-18-9-4-7(13)3-8(14)11(9)17-12(18)15/h3-4,6H,5H2,1-2H3,(H2,15,17)(H,16,19).
What are the key properties of 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide?
2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 268.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 115508683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).