1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea

C24H25ClN6O3S — CID 23138277

IUPAC1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)C(NC(=O)Nc3ccc(Cl)cc3)c3cccs3)CC1)C2
InChIInChI=1S/C24H25ClN6O3S/c1-15-26-13-19-14-30(24(34)31(15)19)18-8-10-29(11-9-18)22(32)21(20-3-2-12-35-20)28-23(33)27-17-6-4-16(25)5-7-17/h2-7,12-13,18,21H,8-11,14H2,1H3,(H2,27,28,33)
InChIKeyPKRPZFIMMCTLCI-UHFFFAOYSA-N
MW513.02 g/mol
LogP4.24
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea

1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea (PubChem CID 23138277) has the molecular formula C24H25ClN6O3S and a molecular weight of 513.02 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea
PubChem CID23138277
Molecular FormulaC24H25ClN6O3S
Molecular Weight513.02 g/mol
Exact Mass512.14
IUPAC Name1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)C(NC(=O)Nc3ccc(Cl)cc3)c3cccs3)CC1)C2
InChIInChI=1S/C24H25ClN6O3S/c1-15-26-13-19-14-30(24(34)31(15)19)18-8-10-29(11-9-18)22(32)21(20-3-2-12-35-20)28-23(33)27-17-6-4-16(25)5-7-17/h2-7,12-13,18,21H,8-11,14H2,1H3,(H2,27,28,33)
InChIKeyPKRPZFIMMCTLCI-UHFFFAOYSA-N
XLogP4.24
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.02
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea (CID 23138277) is 1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea is Cc1ncc2n1C(=O)N(C1CCN(C(=O)C(NC(=O)Nc3ccc(Cl)cc3)c3cccs3)CC1)C2.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea?
The InChIKey is PKRPZFIMMCTLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O3S/c1-15-26-13-19-14-30(24(34)31(15)19)18-8-10-29(11-9-18)22(32)21(20-3-2-12-35-20)28-23(33)27-17-6-4-16(25)5-7-17/h2-7,12-13,18,21H,8-11,14H2,1H3,(H2,27,28,33).
What are the key properties of 1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea?
1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea has a molecular weight of 513.02 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea is sourced from PubChem (CID 23138277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).