1-[[2-(4-chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one

C19H21ClFN5O — CID 69030786

IUPAC1-[[2-(4-chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cn2c(-c3nn(C)cc3Cl)nc3cc(F)ccc32)C1
InChIInChI=1S/C19H21ClFN5O/c1-3-4-12-7-17(27)25(9-12)11-26-16-6-5-13(21)8-15(16)22-19(26)18-14(20)10-24(2)23-18/h5-6,8,10,12H,3-4,7,9,11H2,1-2H3
InChIKeyIHFZQOCZPQKSRA-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.84
Rot. Bonds5

About 1-[[2-(4-chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one

1-[[2-(4-chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one (PubChem CID 69030786) has the molecular formula C19H21ClFN5O and a molecular weight of 389.86 g/mol. Its IUPAC name is 1-[[2-(4-chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(4-chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one
PubChem CID69030786
Molecular FormulaC19H21ClFN5O
Molecular Weight389.86 g/mol
Exact Mass389.14
IUPAC Name1-[[2-(4-chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cn2c(-c3nn(C)cc3Cl)nc3cc(F)ccc32)C1
InChIInChI=1S/C19H21ClFN5O/c1-3-4-12-7-17(27)25(9-12)11-26-16-6-5-13(21)8-15(16)22-19(26)18-14(20)10-24(2)23-18/h5-6,8,10,12H,3-4,7,9,11H2,1-2H3
InChIKeyIHFZQOCZPQKSRA-UHFFFAOYSA-N
XLogP3.84
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[[2-(4-chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one (CID 69030786) is 1-[[2-(4-chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(4-chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[[2-(4-chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cn2c(-c3nn(C)cc3Cl)nc3cc(F)ccc32)C1.
What is the InChIKey of 1-[[2-(4-chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one?
The InChIKey is IHFZQOCZPQKSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5O/c1-3-4-12-7-17(27)25(9-12)11-26-16-6-5-13(21)8-15(16)22-19(26)18-14(20)10-24(2)23-18/h5-6,8,10,12H,3-4,7,9,11H2,1-2H3.
What are the key properties of 1-[[2-(4-chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one?
1-[[2-(4-chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one has a molecular weight of 389.86 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 69030786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).