1-(4-chlorophenyl)-3-[1-cyclopropyl-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]urea

C22H26ClN7O3 — CID 23138261

IUPAC1-(4-chlorophenyl)-3-[1-cyclopropyl-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]urea
SMILESCc1ncc2n1C(=O)N(N1CCN(C(=O)C(NC(=O)Nc3ccc(Cl)cc3)C3CC3)CC1)C2
InChIInChI=1S/C22H26ClN7O3/c1-14-24-12-18-13-29(22(33)30(14)18)28-10-8-27(9-11-28)20(31)19(15-2-3-15)26-21(32)25-17-6-4-16(23)5-7-17/h4-7,12,15,19H,2-3,8-11,13H2,1H3,(H2,25,26,32)
InChIKeyYQGDGHJVYJNFAK-UHFFFAOYSA-N
MW471.95 g/mol
LogP2.29
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[1-cyclopropyl-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]urea

1-(4-chlorophenyl)-3-[1-cyclopropyl-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]urea (PubChem CID 23138261) has the molecular formula C22H26ClN7O3 and a molecular weight of 471.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-cyclopropyl-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-cyclopropyl-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]urea
PubChem CID23138261
Molecular FormulaC22H26ClN7O3
Molecular Weight471.95 g/mol
Exact Mass471.18
IUPAC Name1-(4-chlorophenyl)-3-[1-cyclopropyl-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]urea
SMILESCc1ncc2n1C(=O)N(N1CCN(C(=O)C(NC(=O)Nc3ccc(Cl)cc3)C3CC3)CC1)C2
InChIInChI=1S/C22H26ClN7O3/c1-14-24-12-18-13-29(22(33)30(14)18)28-10-8-27(9-11-28)20(31)19(15-2-3-15)26-21(32)25-17-6-4-16(23)5-7-17/h4-7,12,15,19H,2-3,8-11,13H2,1H3,(H2,25,26,32)
InChIKeyYQGDGHJVYJNFAK-UHFFFAOYSA-N
XLogP2.29
TPSA102.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.95
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopentan-2-yl]urea
CID 58858038
1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea
CID 159427910
1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]urea
CID 58858008
1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-methylsulfinyl-1-oxobutan-2-yl]urea
CID 58858026
1-[4-(iodomethyl)phenyl]-3-[(2S)-3-(2-methoxyethylsulfanyl)-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxobutan-2-yl]urea
CID 89363818
tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxobutan-2-yl]carbamate
CID 90728140
(2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 58857969
1-(4-iodophenyl)-3-[4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea
CID 70841208
1-[4-(iodomethyl)phenyl]-3-[3-methoxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]urea
CID 89363858
6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 134787640
1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea
CID 110348760
6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 66854284

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-cyclopropyl-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-cyclopropyl-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]urea (CID 23138261) is 1-(4-chlorophenyl)-3-[1-cyclopropyl-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-cyclopropyl-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-cyclopropyl-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]urea is Cc1ncc2n1C(=O)N(N1CCN(C(=O)C(NC(=O)Nc3ccc(Cl)cc3)C3CC3)CC1)C2.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-cyclopropyl-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]urea?
The InChIKey is YQGDGHJVYJNFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN7O3/c1-14-24-12-18-13-29(22(33)30(14)18)28-10-8-27(9-11-28)20(31)19(15-2-3-15)26-21(32)25-17-6-4-16(23)5-7-17/h4-7,12,15,19H,2-3,8-11,13H2,1H3,(H2,25,26,32).
What are the key properties of 1-(4-chlorophenyl)-3-[1-cyclopropyl-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]urea?
1-(4-chlorophenyl)-3-[1-cyclopropyl-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]urea has a molecular weight of 471.95 g/mol, XLogP of 2.29, 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-[1-cyclopropyl-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 23138261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).