1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one

C23H26ClN3O2 — CID 26395084

IUPAC1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one
SMILESCc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1
InChIInChI=1S/C23H26ClN3O2/c1-16-13-19(24)6-9-21(16)22(28)18-3-2-11-26(15-18)14-17-4-7-20(8-5-17)27-12-10-25-23(27)29/h4-9,13,18H,2-3,10-12,14-15H2,1H3,(H,25,29)/t18-/m0/s1
InChIKeyCNUABROAFJAPBN-SFHVURJKSA-N
MW411.93 g/mol
LogP4.27
Rot. Bonds5

About 1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one

1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one (PubChem CID 26395084) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one
PubChem CID26395084
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one
SMILESCc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1
InChIInChI=1S/C23H26ClN3O2/c1-16-13-19(24)6-9-21(16)22(28)18-3-2-11-26(15-18)14-17-4-7-20(8-5-17)27-12-10-25-23(27)29/h4-9,13,18H,2-3,10-12,14-15H2,1H3,(H,25,29)/t18-/m0/s1
InChIKeyCNUABROAFJAPBN-SFHVURJKSA-N
XLogP4.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one
CID 45247436
N-[4-[[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 26407394
(4-chloro-2-methylphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone
CID 45205723
(4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone
CID 25283002
1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 42564503
(4-chloro-2-methylphenyl)-[(3R)-1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42344821
[1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-(4-chloro-2-methylphenyl)methanone
CID 45169417
1-benzyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 47069261
(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904832
(4-chloro-2-methylphenyl)-[(3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 25395976
N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921606
[(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone
CID 42346116

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one (CID 26395084) is 1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one is Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1.
What is the InChIKey of 1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one?
The InChIKey is CNUABROAFJAPBN-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-16-13-19(24)6-9-21(16)22(28)18-3-2-11-26(15-18)14-17-4-7-20(8-5-17)27-12-10-25-23(27)29/h4-9,13,18H,2-3,10-12,14-15H2,1H3,(H,25,29)/t18-/m0/s1.
What are the key properties of 1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one?
1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one has a molecular weight of 411.93 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 26395084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).