2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol

C20H30N4O — CID 45246655

IUPAC2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
SMILESCC(C)=CCN1CCN(Cc2nc3ccccc3n2C)CC1CCO
InChIInChI=1S/C20H30N4O/c1-16(2)8-10-24-12-11-23(14-17(24)9-13-25)15-20-21-18-6-4-5-7-19(18)22(20)3/h4-8,17,25H,9-15H2,1-3H3
InChIKeyYAJJTSKFSJWSJE-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.41
Rot. Bonds6

About 2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol

2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol (PubChem CID 45246655) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
PubChem CID45246655
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
SMILESCC(C)=CCN1CCN(Cc2nc3ccccc3n2C)CC1CCO
InChIInChI=1S/C20H30N4O/c1-16(2)8-10-24-12-11-23(14-17(24)9-13-25)15-20-21-18-6-4-5-7-19(18)22(20)3/h4-8,17,25H,9-15H2,1-3H3
InChIKeyYAJJTSKFSJWSJE-UHFFFAOYSA-N
XLogP2.41
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol
CID 45174063
2-[4-[(3-fluorophenyl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
CID 45221119
2-[(2S)-4-[(3,5-difluorophenyl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
CID 29029362
2-[(2R)-4-(isoquinolin-5-ylmethyl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
CID 98570930
2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-ethylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol
CID 29021709
2-[(2S)-1-(3-methylbut-2-enyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol
CID 51627016
2-[(2S)-4-[(5-ethylfuran-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
CID 28739225
1-[3-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-1-yl]methyl]phenyl]ethanone
CID 30722188
1-methyl-2-[[(1S,4S)-5-[(1-methylbenzimidazol-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzimidazole
CID 102484209
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
CID 45226674
2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 51908391

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol (CID 45246655) is 2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol is CC(C)=CCN1CCN(Cc2nc3ccccc3n2C)CC1CCO.
What is the InChIKey of 2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol?
The InChIKey is YAJJTSKFSJWSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-16(2)8-10-24-12-11-23(14-17(24)9-13-25)15-20-21-18-6-4-5-7-19(18)22(20)3/h4-8,17,25H,9-15H2,1-3H3.
What are the key properties of 2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol?
2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol has a molecular weight of 342.49 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45246655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).