[4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone

C20H22N4O — CID 120570334

IUPAC[4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)C1C
InChIInChI=1S/C20H22N4O/c1-14-15(2)23(12-11-21-14)20(25)16-7-9-17(10-8-16)24-13-22-18-5-3-4-6-19(18)24/h3-10,13-15,21H,11-12H2,1-2H3
InChIKeyXRJHFNTUFUVNBF-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.85
Rot. Bonds2

About [4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone

[4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone (PubChem CID 120570334) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is [4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
PubChem CID120570334
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name[4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)C1C
InChIInChI=1S/C20H22N4O/c1-14-15(2)23(12-11-21-14)20(25)16-7-9-17(10-8-16)24-13-22-18-5-3-4-6-19(18)24/h3-10,13-15,21H,11-12H2,1-2H3
InChIKeyXRJHFNTUFUVNBF-UHFFFAOYSA-N
XLogP2.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
[4-(benzimidazol-1-yl)phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 41038540
(2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride
CID 120571831
[4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649370
[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488829
2-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 92786824
N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride
CID 120571735
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(benzimidazol-1-yl)phenyl]methanone
CID 40716447
(3S,5S)-4-[4-(benzimidazol-1-yl)benzoyl]-5-methylmorpholine-3-carboxylic acid
CID 167833350
[4-(benzimidazol-1-yl)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 22109870
(2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 120572200
[4-(benzimidazol-1-yl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 55976869

Frequently Asked Questions

What is the IUPAC name of [4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone (CID 120570334) is [4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone is CC1NCCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)C1C.
What is the InChIKey of [4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is XRJHFNTUFUVNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-15(2)23(12-11-21-14)20(25)16-7-9-17(10-8-16)24-13-22-18-5-3-4-6-19(18)24/h3-10,13-15,21H,11-12H2,1-2H3.
What are the key properties of [4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone?
[4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 334.42 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 120570334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).