3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one

C20H24N4O2 — CID 58882201

IUPAC3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
SMILESCc1cccc(N2CCN(CCn3c(=O)[nH]c4ccccc43)CC2)c1O
InChIInChI=1S/C20H24N4O2/c1-15-5-4-8-18(19(15)25)23-12-9-22(10-13-23)11-14-24-17-7-3-2-6-16(17)21-20(24)26/h2-8,25H,9-14H2,1H3,(H,21,26)
InChIKeyJVSCMGZBFVZODE-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.17
Rot. Bonds4

About 3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one

3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one (PubChem CID 58882201) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
PubChem CID58882201
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
SMILESCc1cccc(N2CCN(CCn3c(=O)[nH]c4ccccc43)CC2)c1O
InChIInChI=1S/C20H24N4O2/c1-15-5-4-8-18(19(15)25)23-12-9-22(10-13-23)11-14-24-17-7-3-2-6-16(17)21-20(24)26/h2-8,25H,9-14H2,1H3,(H,21,26)
InChIKeyJVSCMGZBFVZODE-UHFFFAOYSA-N
XLogP2.17
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one
CID 23369424
3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
CID 807407
3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one
CID 165128018
6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 117207686
3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
CID 165127975
butanedioic acid;3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 67438820
4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 117209301
3-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-benzimidazol-2-one
CID 165127998
2,3-dihydroxybutanedioic acid;bis(3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one)
CID 11629377
1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one
CID 42618257
3-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-1H-benzimidazol-2-one
CID 23369442
3-[5-(4-pyrimidin-4-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
CID 165127999

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one (CID 58882201) is 3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one is Cc1cccc(N2CCN(CCn3c(=O)[nH]c4ccccc43)CC2)c1O.
What is the InChIKey of 3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one?
The InChIKey is JVSCMGZBFVZODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-5-4-8-18(19(15)25)23-12-9-22(10-13-23)11-14-24-17-7-3-2-6-16(17)21-20(24)26/h2-8,25H,9-14H2,1H3,(H,21,26).
What are the key properties of 3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one?
3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 58882201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).