2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide

C11H13FN4O — CID 54950785

IUPAC2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1c(N)nc2c(F)cccc21
InChIInChI=1S/C11H13FN4O/c1-6(10(17)14-2)16-8-5-3-4-7(12)9(8)15-11(16)13/h3-6H,1-2H3,(H2,13,15)(H,14,17)
InChIKeyKPMMOQSPHNZPAB-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.06
Rot. Bonds2

About 2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide

2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide (PubChem CID 54950785) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide
PubChem CID54950785
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1c(N)nc2c(F)cccc21
InChIInChI=1S/C11H13FN4O/c1-6(10(17)14-2)16-8-5-3-4-7(12)9(8)15-11(16)13/h3-6H,1-2H3,(H2,13,15)(H,14,17)
InChIKeyKPMMOQSPHNZPAB-UHFFFAOYSA-N
XLogP1.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide
CID 66102164
methyl 2-[2-(1-chloroethyl)-4-fluorobenzimidazol-1-yl]propanoate
CID 61499707
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide
CID 104719136
(2R)-2-amino-N-(4-fluoro-1-methylbenzimidazol-2-yl)propanamide
CID 119338786
2-[4-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 113459123
4-fluoro-1-octan-2-ylbenzimidazol-2-amine
CID 61480445
methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate
CID 60789228
methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate
CID 113325619
4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine
CID 63292479
4-fluoro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816932
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 63636686

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide?
The IUPAC name of 2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide (CID 54950785) is 2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for 2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide?
The canonical SMILES for 2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide is CNC(=O)C(C)n1c(N)nc2c(F)cccc21.
What is the InChIKey of 2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide?
The InChIKey is KPMMOQSPHNZPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-6(10(17)14-2)16-8-5-3-4-7(12)9(8)15-11(16)13/h3-6H,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide?
2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide has a molecular weight of 236.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 54950785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).