5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide

C28H36N4O3 — CID 53115174

IUPAC5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
SMILESCc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCCN3CCOCC3)o2)cc1
InChIInChI=1S/C28H36N4O3/c1-21-8-10-22(11-9-21)26-27(32(20-30-26)23-6-3-2-4-7-23)24-12-13-25(35-24)28(33)29-14-5-15-31-16-18-34-19-17-31/h8-13,20,23H,2-7,14-19H2,1H3,(H,29,33)
InChIKeyCMPDGSIFXVVUQK-UHFFFAOYSA-N
MW476.62 g/mol
LogP5.08
Rot. Bonds8

About 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide

5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide (PubChem CID 53115174) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
PubChem CID53115174
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC Name5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
SMILESCc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCCN3CCOCC3)o2)cc1
InChIInChI=1S/C28H36N4O3/c1-21-8-10-22(11-9-21)26-27(32(20-30-26)23-6-3-2-4-7-23)24-12-13-25(35-24)28(33)29-14-5-15-31-16-18-34-19-17-31/h8-13,20,23H,2-7,14-19H2,1H3,(H,29,33)
InChIKeyCMPDGSIFXVVUQK-UHFFFAOYSA-N
XLogP5.08
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide (CID 53115174) is 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide is Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCCN3CCOCC3)o2)cc1.
What is the InChIKey of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The InChIKey is CMPDGSIFXVVUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-21-8-10-22(11-9-21)26-27(32(20-30-26)23-6-3-2-4-7-23)24-12-13-25(35-24)28(33)29-14-5-15-31-16-18-34-19-17-31/h8-13,20,23H,2-7,14-19H2,1H3,(H,29,33).
What are the key properties of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide has a molecular weight of 476.62 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 53115174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).