3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-benzimidazol-2-one

C18H15FN4O — CID 71717336

IUPAC3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-benzimidazol-2-one
SMILESCn1cc(-c2ccc(Cn3c(=O)[nH]c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C18H15FN4O/c1-22-10-14(9-20-22)12-6-7-13(15(19)8-12)11-23-17-5-3-2-4-16(17)21-18(23)24/h2-10H,11H2,1H3,(H,21,24)
InChIKeyYBRUUNBYLRZSIP-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.92
Rot. Bonds3

About 3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-benzimidazol-2-one

3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-benzimidazol-2-one (PubChem CID 71717336) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-benzimidazol-2-one
PubChem CID71717336
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-benzimidazol-2-one
SMILESCn1cc(-c2ccc(Cn3c(=O)[nH]c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C18H15FN4O/c1-22-10-14(9-20-22)12-6-7-13(15(19)8-12)11-23-17-5-3-2-4-16(17)21-18(23)24/h2-10H,11H2,1H3,(H,21,24)
InChIKeyYBRUUNBYLRZSIP-UHFFFAOYSA-N
XLogP2.92
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-benzimidazol-2-one (CID 71717336) is 3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-benzimidazol-2-one is Cn1cc(-c2ccc(Cn3c(=O)[nH]c4ccccc43)c(F)c2)cn1.
What is the InChIKey of 3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-benzimidazol-2-one?
The InChIKey is YBRUUNBYLRZSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-22-10-14(9-20-22)12-6-7-13(15(19)8-12)11-23-17-5-3-2-4-16(17)21-18(23)24/h2-10H,11H2,1H3,(H,21,24).
What are the key properties of 3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-benzimidazol-2-one?
3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-benzimidazol-2-one has a molecular weight of 322.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 71717336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).