3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide

C25H32N4O3 — CID 56551818

IUPAC3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCCn1c(=O)n(CCC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c2ccccc21
InChIInChI=1S/C25H32N4O3/c1-2-28-22-5-3-4-6-23(22)29(25(28)32)16-13-24(31)26-17-19-7-9-20(10-8-19)18-27-14-11-21(30)12-15-27/h3-10,21,30H,2,11-18H2,1H3,(H,26,31)
InChIKeyPSURNCBUXSTSAI-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.49
Rot. Bonds8

About 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 56551818) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID56551818
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCCn1c(=O)n(CCC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c2ccccc21
InChIInChI=1S/C25H32N4O3/c1-2-28-22-5-3-4-6-23(22)29(25(28)32)16-13-24(31)26-17-19-7-9-20(10-8-19)18-27-14-11-21(30)12-15-27/h3-10,21,30H,2,11-18H2,1H3,(H,26,31)
InChIKeyPSURNCBUXSTSAI-UHFFFAOYSA-N
XLogP2.49
TPSA79.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551373
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 55950818
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120565344
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 55694075
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 18132525
N-(1-benzylpiperidin-4-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 34363205
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
CID 55953573
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17495918
N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 56555081
3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 15994271
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55475943
N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18156454

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide (CID 56551818) is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide is CCn1c(=O)n(CCC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c2ccccc21.
What is the InChIKey of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is PSURNCBUXSTSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-2-28-22-5-3-4-6-23(22)29(25(28)32)16-13-24(31)26-17-19-7-9-20(10-8-19)18-27-14-11-21(30)12-15-27/h3-10,21,30H,2,11-18H2,1H3,(H,26,31).
What are the key properties of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide?
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 436.56 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 56551818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).