5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one

C22H24ClN3O3 — CID 102556880

IUPAC5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C22H24ClN3O3/c1-14-13-29-20(16-6-2-3-7-17(16)23)12-26(14)21(27)8-4-5-15-9-10-18-19(11-15)25-22(28)24-18/h2-3,6-7,9-11,14,20H,4-5,8,12-13H2,1H3,(H2,24,25,28)
InChIKeyQZHXALIUTXTVST-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.82
Rot. Bonds5

About 5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one

5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 102556880) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID102556880
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C22H24ClN3O3/c1-14-13-29-20(16-6-2-3-7-17(16)23)12-26(14)21(27)8-4-5-15-9-10-18-19(11-15)25-22(28)24-18/h2-3,6-7,9-11,14,20H,4-5,8,12-13H2,1H3,(H2,24,25,28)
InChIKeyQZHXALIUTXTVST-UHFFFAOYSA-N
XLogP3.82
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one with MolForge

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Related Compounds

1-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-ethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 172470767
3-[1-[[2-(3-chlorophenyl)-1,4-dioxan-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 57198269
3-[2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 136532492
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45914773
N-{(3S,7S,8aS)-3-[(benzyloxy)methyl]-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-7-yl}-N'-(3-chloro-2-methylphenyl)urea
CID 56856785
(3-Chlorophenyl)methyl 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoate
CID 72139294
3-[1-[[5-(2-chlorophenyl)oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 20481060
1-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-ethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 25029191
1-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 25029413
(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide
CID 25059405
6-chloro-3-[1-(2-phenyloxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44252567
3-[1-[[2-(3-chlorophenyl)-1,4-dioxan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 57147626

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one (CID 102556880) is 5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one is CC1COC(c2ccccc2Cl)CN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QZHXALIUTXTVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-14-13-29-20(16-6-2-3-7-17(16)23)12-26(14)21(27)8-4-5-15-9-10-18-19(11-15)25-22(28)24-18/h2-3,6-7,9-11,14,20H,4-5,8,12-13H2,1H3,(H2,24,25,28).
What are the key properties of 5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one?
5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 413.91 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 102556880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).