1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one

C19H20FN5O — CID 123829889

IUPAC1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(-c3nc4ccccc4[nH]3)c(F)cn2)CC1
InChIInChI=1S/C19H20FN5O/c1-2-18(26)25-9-7-24(8-10-25)17-11-13(14(20)12-21-17)19-22-15-5-3-4-6-16(15)23-19/h3-6,11-12H,2,7-10H2,1H3,(H,22,23)
InChIKeyNCUHGSPCAWXMHM-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.82
Rot. Bonds3

About 1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one

1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one (PubChem CID 123829889) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one
PubChem CID123829889
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(-c3nc4ccccc4[nH]3)c(F)cn2)CC1
InChIInChI=1S/C19H20FN5O/c1-2-18(26)25-9-7-24(8-10-25)17-11-13(14(20)12-21-17)19-22-15-5-3-4-6-16(15)23-19/h3-6,11-12H,2,7-10H2,1H3,(H,22,23)
InChIKeyNCUHGSPCAWXMHM-UHFFFAOYSA-N
XLogP2.82
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 123671232
2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole
CID 123464651
4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazine-1-carboxamide
CID 123643221
4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide
CID 123606914
1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone
CID 163684349
1-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperidin-4-yl]-1,3-dimethylurea
CID 123246253
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen
CID 161182532
N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide
CID 123557081
[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 123421115
2-(azetidin-1-yl)-1-[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperazin-1-yl]ethanone
CID 59568272
2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole
CID 17448653
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one (CID 123829889) is 1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2cc(-c3nc4ccccc4[nH]3)c(F)cn2)CC1.
What is the InChIKey of 1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one?
The InChIKey is NCUHGSPCAWXMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-2-18(26)25-9-7-24(8-10-25)17-11-13(14(20)12-21-17)19-22-15-5-3-4-6-16(15)23-19/h3-6,11-12H,2,7-10H2,1H3,(H,22,23).
What are the key properties of 1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one?
1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one has a molecular weight of 353.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 123829889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).