1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea

C23H36N4O — CID 178064414

IUPAC1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea
SMILESCc1cncn1CCCNC(=O)NCC12CC3(C)C4(C)CC1CC4(C)C3(C)C2
InChIInChI=1S/C23H36N4O/c1-16-11-24-15-27(16)8-6-7-25-18(28)26-14-23-12-21(4)19(2)9-17(23)10-20(19,3)22(21,5)13-23/h11,15,17H,6-10,12-14H2,1-5H3,(H2,25,26,28)
InChIKeyZFPMAHLXIYTHDP-UHFFFAOYSA-N
MW384.57 g/mol
LogP4.12
Rot. Bonds6

About 1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea

1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea (PubChem CID 178064414) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea
PubChem CID178064414
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea
SMILESCc1cncn1CCCNC(=O)NCC12CC3(C)C4(C)CC1CC4(C)C3(C)C2
InChIInChI=1S/C23H36N4O/c1-16-11-24-15-27(16)8-6-7-25-18(28)26-14-23-12-21(4)19(2)9-17(23)10-20(19,3)22(21,5)13-23/h11,15,17H,6-10,12-14H2,1-5H3,(H2,25,26,28)
InChIKeyZFPMAHLXIYTHDP-UHFFFAOYSA-N
XLogP4.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]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-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea?
The IUPAC name of 1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea (CID 178064414) is 1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea.
What is the SMILES notation for 1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea?
The canonical SMILES for 1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea is Cc1cncn1CCCNC(=O)NCC12CC3(C)C4(C)CC1CC4(C)C3(C)C2.
What is the InChIKey of 1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea?
The InChIKey is ZFPMAHLXIYTHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-16-11-24-15-27(16)8-6-7-25-18(28)26-14-23-12-21(4)19(2)9-17(23)10-20(19,3)22(21,5)13-23/h11,15,17H,6-10,12-14H2,1-5H3,(H2,25,26,28).
What are the key properties of 1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea?
1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea has a molecular weight of 384.57 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methylimidazol-1-yl)propyl]-3-[(3,4,8,9-tetramethyl-1-tetracyclo[4.4.0.03,9.04,8]decanyl)methyl]urea is sourced from PubChem (CID 178064414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).