2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide

C13H16F2N4O — CID 82359124

IUPAC2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1c(N)nc2cc(F)c(F)cc21
InChIInChI=1S/C13H16F2N4O/c1-7(2)5-17-12(20)6-19-11-4-9(15)8(14)3-10(11)18-13(19)16/h3-4,7H,5-6H2,1-2H3,(H2,16,18)(H,17,20)
InChIKeyCTFMQEGDQOWYRC-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.67
Rot. Bonds4

About 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide

2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 82359124) has the molecular formula C13H16F2N4O and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID82359124
Molecular FormulaC13H16F2N4O
Molecular Weight282.29 g/mol
Exact Mass282.13
IUPAC Name2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1c(N)nc2cc(F)c(F)cc21
InChIInChI=1S/C13H16F2N4O/c1-7(2)5-17-12(20)6-19-11-4-9(15)8(14)3-10(11)18-13(19)16/h3-4,7H,5-6H2,1-2H3,(H2,16,18)(H,17,20)
InChIKeyCTFMQEGDQOWYRC-UHFFFAOYSA-N
XLogP1.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
CID 82359191
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide
CID 82359120
1-ethyl-5,6-difluorobenzimidazol-2-amine
CID 82359171
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate
CID 66078295
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 82359117
2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide
CID 115356971
2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid
CID 62804398
4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid
CID 82359205
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide
CID 82359192
2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide
CID 43659596
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 116738123
2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 115508683

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide (CID 82359124) is 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1c(N)nc2cc(F)c(F)cc21.
What is the InChIKey of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is CTFMQEGDQOWYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O/c1-7(2)5-17-12(20)6-19-11-4-9(15)8(14)3-10(11)18-13(19)16/h3-4,7H,5-6H2,1-2H3,(H2,16,18)(H,17,20).
What are the key properties of 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide?
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 282.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 82359124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).