1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide

C20H18FN5O2 — CID 31887523

IUPAC1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H18FN5O2/c1-11(2)18-15(10-22-26(18)14-6-3-12(21)4-7-14)19(27)23-13-5-8-16-17(9-13)25-20(28)24-16/h3-11H,1-2H3,(H,23,27)(H2,24,25,28)
InChIKeyVJJZSVLCLZDSSK-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.56
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 31887523) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID31887523
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H18FN5O2/c1-11(2)18-15(10-22-26(18)14-6-3-12(21)4-7-14)19(27)23-13-5-8-16-17(9-13)25-20(28)24-16/h3-11H,1-2H3,(H,23,27)(H2,24,25,28)
InChIKeyVJJZSVLCLZDSSK-UHFFFAOYSA-N
XLogP3.56
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide (CID 31887523) is 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is VJJZSVLCLZDSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-11(2)18-15(10-22-26(18)14-6-3-12(21)4-7-14)19(27)23-13-5-8-16-17(9-13)25-20(28)24-16/h3-11H,1-2H3,(H,23,27)(H2,24,25,28).
What are the key properties of 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 31887523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).