(2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide

C22H27N5O2 — CID 99801968

IUPAC(2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide
SMILESCN1CCN(c2ccccc2NC(=O)N2CC(=O)N(C)[C@H]2c2ccccc2)CC1
InChIInChI=1S/C22H27N5O2/c1-24-12-14-26(15-13-24)19-11-7-6-10-18(19)23-22(29)27-16-20(28)25(2)21(27)17-8-4-3-5-9-17/h3-11,21H,12-16H2,1-2H3,(H,23,29)/t21-/m1/s1
InChIKeyOZHRBORXODWNTH-OAQYLSRUSA-N
MW393.49 g/mol
LogP2.44
Rot. Bonds3

About (2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide

(2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide (PubChem CID 99801968) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is (2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide
PubChem CID99801968
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name(2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide
SMILESCN1CCN(c2ccccc2NC(=O)N2CC(=O)N(C)[C@H]2c2ccccc2)CC1
InChIInChI=1S/C22H27N5O2/c1-24-12-14-26(15-13-24)19-11-7-6-10-18(19)23-22(29)27-16-20(28)25(2)21(27)17-8-4-3-5-9-17/h3-11,21H,12-16H2,1-2H3,(H,23,29)/t21-/m1/s1
InChIKeyOZHRBORXODWNTH-OAQYLSRUSA-N
XLogP2.44
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide
CID 99801967
3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide
CID 166202579
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
CID 41430695
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55874219
(2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one
CID 101008763
[2-(4-methylpiperazin-1-yl)phenyl]thiourea
CID 4275618
N-[2-(4-methylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 9119487
(2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 41170583
6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
CID 57327107
N-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 43059671
1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111722525
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18141663

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide?
The IUPAC name of (2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide (CID 99801968) is (2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for (2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide?
The canonical SMILES for (2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide is CN1CCN(c2ccccc2NC(=O)N2CC(=O)N(C)[C@H]2c2ccccc2)CC1.
What is the InChIKey of (2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide?
The InChIKey is OZHRBORXODWNTH-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-24-12-14-26(15-13-24)19-11-7-6-10-18(19)23-22(29)27-16-20(28)25(2)21(27)17-8-4-3-5-9-17/h3-11,21H,12-16H2,1-2H3,(H,23,29)/t21-/m1/s1.
What are the key properties of (2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide?
(2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 99801968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).