2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C24H39N5O — CID 51908391

IUPAC2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCCn1c(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)nc2ccccc21
InChIInChI=1S/C24H39N5O/c1-4-28-23-8-6-5-7-22(23)25-24(28)18-26-14-15-29(21(17-26)11-16-30)20-9-12-27(13-10-20)19(2)3/h5-8,19-21,30H,4,9-18H2,1-3H3/t21-/m1/s1
InChIKeyCGNZKUQHLWLBBW-OAQYLSRUSA-N
MW413.61 g/mol
LogP2.80
Rot. Bonds7

About 2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 51908391) has the molecular formula C24H39N5O and a molecular weight of 413.61 g/mol. Its IUPAC name is 2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID51908391
Molecular FormulaC24H39N5O
Molecular Weight413.61 g/mol
Exact Mass413.32
IUPAC Name2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCCn1c(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)nc2ccccc21
InChIInChI=1S/C24H39N5O/c1-4-28-23-8-6-5-7-22(23)25-24(28)18-26-14-15-29(21(17-26)11-16-30)20-9-12-27(13-10-20)19(2)3/h5-8,19-21,30H,4,9-18H2,1-3H3/t21-/m1/s1
InChIKeyCGNZKUQHLWLBBW-OAQYLSRUSA-N
XLogP2.80
TPSA47.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.61
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol 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

2-[4-[(4-ethylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45186472
2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-ethylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol
CID 29021709
2-[4-[(2-fluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45171701
2-[(2R)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 98597594
2-[(2S)-4-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 30733316
2-[(2S)-4-[(2-methoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 51635269
[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 124805524
2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45206867
2-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45210237
2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 98579376
2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45199680
2-[4-(1,3-benzodioxol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45242285

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 51908391) is 2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is CCn1c(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)nc2ccccc21.
What is the InChIKey of 2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is CGNZKUQHLWLBBW-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H39N5O/c1-4-28-23-8-6-5-7-22(23)25-24(28)18-26-14-15-29(21(17-26)11-16-30)20-9-12-27(13-10-20)19(2)3/h5-8,19-21,30H,4,9-18H2,1-3H3/t21-/m1/s1.
What are the key properties of 2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 413.61 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 51908391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).