(6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone

C20H21FN4O — CID 136545172

IUPAC(6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)c3cc4nc[nH]c4cc3F)CC2)c1
InChIInChI=1S/C20H21FN4O/c1-14-3-2-4-15(9-14)12-24-5-7-25(8-6-24)20(26)16-10-18-19(11-17(16)21)23-13-22-18/h2-4,9-11,13H,5-8,12H2,1H3,(H,22,23)
InChIKeyPPHMTFVNFRCDDG-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.97
Rot. Bonds3

About (6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone

(6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 136545172) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is (6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID136545172
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name(6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)c3cc4nc[nH]c4cc3F)CC2)c1
InChIInChI=1S/C20H21FN4O/c1-14-3-2-4-15(9-14)12-24-5-7-25(8-6-24)20(26)16-10-18-19(11-17(16)21)23-13-22-18/h2-4,9-11,13H,5-8,12H2,1H3,(H,22,23)
InChIKeyPPHMTFVNFRCDDG-UHFFFAOYSA-N
XLogP2.97
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 55822160
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366010
(1,5-dimethylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19478078
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
(2,3-dichlorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325337
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325349
1-methyl-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 19498274
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 55465377
(5-amino-2-methylphenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120640078
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 9105727
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 34405473

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (CID 136545172) is (6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is Cc1cccc(CN2CCN(C(=O)c3cc4nc[nH]c4cc3F)CC2)c1.
What is the InChIKey of (6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is PPHMTFVNFRCDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-14-3-2-4-15(9-14)12-24-5-7-25(8-6-24)20(26)16-10-18-19(11-17(16)21)23-13-22-18/h2-4,9-11,13H,5-8,12H2,1H3,(H,22,23).
What are the key properties of (6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
(6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 352.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 136545172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).