N-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

C22H25N5OS — CID 9118639

IUPACN-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)Nc2ccccc2N2CCN(C)CC2)n1-c1ccccc1
InChIInChI=1S/C22H25N5OS/c1-25-12-14-26(15-13-25)19-11-7-6-10-18(19)24-21(28)20-16-23-22(29-2)27(20)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,24,28)
InChIKeyDQWYEFKQWJHASN-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.60
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

N-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (PubChem CID 9118639) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
PubChem CID9118639
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC NameN-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)Nc2ccccc2N2CCN(C)CC2)n1-c1ccccc1
InChIInChI=1S/C22H25N5OS/c1-25-12-14-26(15-13-25)19-11-7-6-10-18(19)24-21(28)20-16-23-22(29-2)27(20)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,24,28)
InChIKeyDQWYEFKQWJHASN-UHFFFAOYSA-N
XLogP3.60
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (CID 9118639) is N-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is CSc1ncc(C(=O)Nc2ccccc2N2CCN(C)CC2)n1-c1ccccc1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The InChIKey is DQWYEFKQWJHASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-25-12-14-26(15-13-25)19-11-7-6-10-18(19)24-21(28)20-16-23-22(29-2)27(20)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 9118639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).