1-methyl-3-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]urea

C24H30N4O — CID 25190476

IUPAC1-methyl-3-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]urea
SMILESCNC(=O)NCCCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H30N4O/c1-19-27-22(20-13-7-5-8-14-20)23(21-15-9-6-10-16-21)28(19)18-12-4-3-11-17-26-24(29)25-2/h5-10,13-16H,3-4,11-12,17-18H2,1-2H3,(H2,25,26,29)
InChIKeySKGPLXRCLFUACL-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.01
Rot. Bonds9

About 1-methyl-3-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]urea

1-methyl-3-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]urea (PubChem CID 25190476) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-methyl-3-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]urea.

Molecular Properties

Compound Name1-methyl-3-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]urea
PubChem CID25190476
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name1-methyl-3-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]urea
SMILESCNC(=O)NCCCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H30N4O/c1-19-27-22(20-13-7-5-8-14-20)23(21-15-9-6-10-16-21)28(19)18-12-4-3-11-17-26-24(29)25-2/h5-10,13-16H,3-4,11-12,17-18H2,1-2H3,(H2,25,26,29)
InChIKeySKGPLXRCLFUACL-UHFFFAOYSA-N
XLogP5.01
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]urea?
The IUPAC name of 1-methyl-3-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]urea (CID 25190476) is 1-methyl-3-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]urea.
What is the SMILES notation for 1-methyl-3-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]urea?
The canonical SMILES for 1-methyl-3-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]urea is CNC(=O)NCCCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-methyl-3-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]urea?
The InChIKey is SKGPLXRCLFUACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-19-27-22(20-13-7-5-8-14-20)23(21-15-9-6-10-16-21)28(19)18-12-4-3-11-17-26-24(29)25-2/h5-10,13-16H,3-4,11-12,17-18H2,1-2H3,(H2,25,26,29).
What are the key properties of 1-methyl-3-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]urea?
1-methyl-3-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]urea has a molecular weight of 390.53 g/mol, XLogP of 5.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]urea is sourced from PubChem (CID 25190476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).