2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol

C21H26N4O2 — CID 50981831

IUPAC2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol
SMILESC/C(=C\c1ccco1)CN1CCN(c2nc3ccccc3n2CCO)CC1
InChIInChI=1S/C21H26N4O2/c1-17(15-18-5-4-14-27-18)16-23-8-10-24(11-9-23)21-22-19-6-2-3-7-20(19)25(21)12-13-26/h2-7,14-15,26H,8-13,16H2,1H3/b17-15+
InChIKeyMTRRIASZPMXSCX-BMRADRMJSA-N
MW366.47 g/mol
LogP2.85
Rot. Bonds6

About 2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol

2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol (PubChem CID 50981831) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol
PubChem CID50981831
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol
SMILESC/C(=C\c1ccco1)CN1CCN(c2nc3ccccc3n2CCO)CC1
InChIInChI=1S/C21H26N4O2/c1-17(15-18-5-4-14-27-18)16-23-8-10-24(11-9-23)21-22-19-6-2-3-7-20(19)25(21)12-13-26/h2-7,14-15,26H,8-13,16H2,1H3/b17-15+
InChIKeyMTRRIASZPMXSCX-BMRADRMJSA-N
XLogP2.85
TPSA57.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol with MolForge

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Related Compounds

2-(2-morpholin-4-ylbenzimidazol-1-yl)ethanol
CID 46784646
3-chloro-6-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 50958806
2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide
CID 86583903
methyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate
CID 56878278
2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine
CID 82167730
1-[(3R,4R)-4-hydroxy-1-[1-(2-hydroxyethyl)benzimidazol-2-yl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134710017
3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine
CID 82167740
5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 42529918
[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine
CID 50948250
N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide
CID 42880175
(3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol
CID 56709992
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol (CID 50981831) is 2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol is C/C(=C\c1ccco1)CN1CCN(c2nc3ccccc3n2CCO)CC1.
What is the InChIKey of 2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol?
The InChIKey is MTRRIASZPMXSCX-BMRADRMJSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-17(15-18-5-4-14-27-18)16-23-8-10-24(11-9-23)21-22-19-6-2-3-7-20(19)25(21)12-13-26/h2-7,14-15,26H,8-13,16H2,1H3/b17-15+.
What are the key properties of 2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol?
2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol has a molecular weight of 366.47 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 50981831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).