1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine

C16H20FN5O — CID 86802847

IUPAC1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine
SMILESCCn1c(NCc2c(C)nn(C)c2OC)nc2cc(F)ccc21
InChIInChI=1S/C16H20FN5O/c1-5-22-14-7-6-11(17)8-13(14)19-16(22)18-9-12-10(2)20-21(3)15(12)23-4/h6-8H,5,9H2,1-4H3,(H,18,19)
InChIKeyODCJSHZAYWLIER-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.86
Rot. Bonds5

About 1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine

1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine (PubChem CID 86802847) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine
PubChem CID86802847
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine
SMILESCCn1c(NCc2c(C)nn(C)c2OC)nc2cc(F)ccc21
InChIInChI=1S/C16H20FN5O/c1-5-22-14-7-6-11(17)8-13(14)19-16(22)18-9-12-10(2)20-21(3)15(12)23-4/h6-8H,5,9H2,1-4H3,(H,18,19)
InChIKeyODCJSHZAYWLIER-UHFFFAOYSA-N
XLogP2.86
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine (CID 86802847) is 1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine is CCn1c(NCc2c(C)nn(C)c2OC)nc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine?
The InChIKey is ODCJSHZAYWLIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-5-22-14-7-6-11(17)8-13(14)19-16(22)18-9-12-10(2)20-21(3)15(12)23-4/h6-8H,5,9H2,1-4H3,(H,18,19).
What are the key properties of 1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine?
1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine has a molecular weight of 317.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 86802847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).