N-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide

C17H16F2N4O — CID 100940866

IUPACN-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide
SMILESCC(C)n1c(N)nc2ccc(NC(=O)c3cccc(F)c3F)cc21
InChIInChI=1S/C17H16F2N4O/c1-9(2)23-14-8-10(6-7-13(14)22-17(23)20)21-16(24)11-4-3-5-12(18)15(11)19/h3-9H,1-2H3,(H2,20,22)(H,21,24)
InChIKeyWKLPFMBEJODTCA-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.73
Rot. Bonds3

About N-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide

N-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide (PubChem CID 100940866) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide
PubChem CID100940866
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide
SMILESCC(C)n1c(N)nc2ccc(NC(=O)c3cccc(F)c3F)cc21
InChIInChI=1S/C17H16F2N4O/c1-9(2)23-14-8-10(6-7-13(14)22-17(23)20)21-16(24)11-4-3-5-12(18)15(11)19/h3-9H,1-2H3,(H2,20,22)(H,21,24)
InChIKeyWKLPFMBEJODTCA-UHFFFAOYSA-N
XLogP3.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide?
The IUPAC name of N-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide (CID 100940866) is N-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide?
The canonical SMILES for N-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide is CC(C)n1c(N)nc2ccc(NC(=O)c3cccc(F)c3F)cc21.
What is the InChIKey of N-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide?
The InChIKey is WKLPFMBEJODTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-9(2)23-14-8-10(6-7-13(14)22-17(23)20)21-16(24)11-4-3-5-12(18)15(11)19/h3-9H,1-2H3,(H2,20,22)(H,21,24).
What are the key properties of N-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide?
N-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide has a molecular weight of 330.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide is sourced from PubChem (CID 100940866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).