3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

C24H26N4O4 — CID 142646179

IUPAC3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1ccc(-c2cc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)on2)c(OC)c1
InChIInChI=1S/C24H26N4O4/c1-30-17-7-8-19(23(14-17)31-2)21-13-18(32-26-21)15-27-11-9-16(10-12-27)28-22-6-4-3-5-20(22)25-24(28)29/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,25,29)
InChIKeySIOFAXQEKYMILY-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.84
Rot. Bonds6

About 3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 142646179) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID142646179
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1ccc(-c2cc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)on2)c(OC)c1
InChIInChI=1S/C24H26N4O4/c1-30-17-7-8-19(23(14-17)31-2)21-13-18(32-26-21)15-27-11-9-16(10-12-27)28-22-6-4-3-5-20(22)25-24(28)29/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,25,29)
InChIKeySIOFAXQEKYMILY-UHFFFAOYSA-N
XLogP3.84
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968462
3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one
CID 117207067
N-(2,5-dimethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 23878679
3-[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 10476701
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 46631964
3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968436
3-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735754
3-[1-(4,4-dimethoxybutyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968490
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[(2,3-dimethoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360331
2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid
CID 131935846
formic acid;3-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 171678507

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 142646179) is 3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one is COc1ccc(-c2cc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)on2)c(OC)c1.
What is the InChIKey of 3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is SIOFAXQEKYMILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-30-17-7-8-19(23(14-17)31-2)21-13-18(32-26-21)15-27-11-9-16(10-12-27)28-22-6-4-3-5-20(22)25-24(28)29/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,25,29).
What are the key properties of 3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 434.50 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 142646179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).