[5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate

C20H15ClN6O5 — CID 122437565

IUPAC[5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate
SMILESNC(=O)Oc1nc(CN2C(=O)c3ccccc3C2=O)[nH]c1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN6O5/c21-10-5-7-11(8-6-10)23-20(31)26-15-16(32-19(22)30)25-14(24-15)9-27-17(28)12-3-1-2-4-13(12)18(27)29/h1-8H,9H2,(H2,22,30)(H,24,25)(H2,23,26,31)
InChIKeyBKSYAVXTORSHBO-UHFFFAOYSA-N
MW454.83 g/mol
LogP2.96
Rot. Bonds5

About [5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate

[5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate (PubChem CID 122437565) has the molecular formula C20H15ClN6O5 and a molecular weight of 454.83 g/mol. Its IUPAC name is [5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate.

Molecular Properties

Compound Name[5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate
PubChem CID122437565
Molecular FormulaC20H15ClN6O5
Molecular Weight454.83 g/mol
Exact Mass454.08
IUPAC Name[5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate
SMILESNC(=O)Oc1nc(CN2C(=O)c3ccccc3C2=O)[nH]c1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN6O5/c21-10-5-7-11(8-6-10)23-20(31)26-15-16(32-19(22)30)25-14(24-15)9-27-17(28)12-3-1-2-4-13(12)18(27)29/h1-8H,9H2,(H2,22,30)(H,24,25)(H2,23,26,31)
InChIKeyBKSYAVXTORSHBO-UHFFFAOYSA-N
XLogP2.96
TPSA159.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.83
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze [5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
[4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate
CID 175184311
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375
1-(4-bromophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]urea
CID 19259003
4-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 108756210
1-(5-benzyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-(4-methoxyphenyl)urea
CID 46271263
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
1-(3-chloro-4-fluorophenyl)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108875010
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea
CID 19259064
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 46543557

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate?
The IUPAC name of [5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate (CID 122437565) is [5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate.
What is the SMILES notation for [5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate?
The canonical SMILES for [5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate is NC(=O)Oc1nc(CN2C(=O)c3ccccc3C2=O)[nH]c1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate?
The InChIKey is BKSYAVXTORSHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6O5/c21-10-5-7-11(8-6-10)23-20(31)26-15-16(32-19(22)30)25-14(24-15)9-27-17(28)12-3-1-2-4-13(12)18(27)29/h1-8H,9H2,(H2,22,30)(H,24,25)(H2,23,26,31).
What are the key properties of [5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate?
[5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate has a molecular weight of 454.83 g/mol, XLogP of 2.96, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chlorophenyl)carbamoylamino]-2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-imidazol-4-yl] carbamate is sourced from PubChem (CID 122437565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).