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

C22H27N5O2 — CID 99801967

IUPAC(2S)-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-/m0/s1
InChIKeyOZHRBORXODWNTH-NRFANRHFSA-N
MW393.49 g/mol
LogP2.44
Rot. Bonds3

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

(2S)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide (PubChem CID 99801967) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is (2S)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide
PubChem CID99801967
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name(2S)-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-/m0/s1
InChIKeyOZHRBORXODWNTH-NRFANRHFSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide?
The IUPAC name of (2S)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide (CID 99801967) is (2S)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for (2S)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide?
The canonical SMILES for (2S)-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 (2S)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide?
The InChIKey is OZHRBORXODWNTH-NRFANRHFSA-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-/m0/s1.
What are the key properties of (2S)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide?
(2S)-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 (2S)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 99801967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).