3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpropanamide

C17H20FN5O2 — CID 74232248

IUPAC3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpropanamide
SMILESCOCc1cc(CN(C)C(=O)CCc2nc3ccc(F)cc3[nH]2)[nH]n1
InChIInChI=1S/C17H20FN5O2/c1-23(9-12-8-13(10-25-2)22-21-12)17(24)6-5-16-19-14-4-3-11(18)7-15(14)20-16/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyNJODMSPCYZCCNV-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.16
Rot. Bonds7

About 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpropanamide

3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpropanamide (PubChem CID 74232248) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpropanamide
PubChem CID74232248
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpropanamide
SMILESCOCc1cc(CN(C)C(=O)CCc2nc3ccc(F)cc3[nH]2)[nH]n1
InChIInChI=1S/C17H20FN5O2/c1-23(9-12-8-13(10-25-2)22-21-12)17(24)6-5-16-19-14-4-3-11(18)7-15(14)20-16/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyNJODMSPCYZCCNV-UHFFFAOYSA-N
XLogP2.16
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpropanamide?
The IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpropanamide (CID 74232248) is 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpropanamide?
The canonical SMILES for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpropanamide is COCc1cc(CN(C)C(=O)CCc2nc3ccc(F)cc3[nH]2)[nH]n1.
What is the InChIKey of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpropanamide?
The InChIKey is NJODMSPCYZCCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-23(9-12-8-13(10-25-2)22-21-12)17(24)6-5-16-19-14-4-3-11(18)7-15(14)20-16/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpropanamide?
3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpropanamide has a molecular weight of 345.38 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 74232248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).