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

C27H36N4O2 — CID 53115173

IUPAC5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(-c2c(-c3ccc(C)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C27H36N4O2/c1-4-30(5-2)18-17-28-27(32)24-16-15-23(33-24)26-25(21-13-11-20(3)12-14-21)29-19-31(26)22-9-7-6-8-10-22/h11-16,19,22H,4-10,17-18H2,1-3H3,(H,28,32)
InChIKeyONZXBQXHZNVLGX-UHFFFAOYSA-N
MW448.61 g/mol
LogP5.70
Rot. Bonds9

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

5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide (PubChem CID 53115173) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide
PubChem CID53115173
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(-c2c(-c3ccc(C)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C27H36N4O2/c1-4-30(5-2)18-17-28-27(32)24-16-15-23(33-24)26-25(21-13-11-20(3)12-14-21)29-19-31(26)22-9-7-6-8-10-22/h11-16,19,22H,4-10,17-18H2,1-3H3,(H,28,32)
InChIKeyONZXBQXHZNVLGX-UHFFFAOYSA-N
XLogP5.70
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-Carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide
CID 11739527
(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 49865150
(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 49865207
(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 49865208
5-[1-Cyclohexyl-4-(4-methylphenyl)-1H-imidazol-5-YL]-N-(2-fluorophenyl)furan-2-carboxamide
CID 53036048
5-[1-Cyclohexyl-4-(4-methylphenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide
CID 53036049
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 53036067
N-(2-Chlorophenyl)-5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53036070
N-(4-Chlorophenyl)-5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53036071
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 53036074
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 53036075
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-ethylphenyl)furan-2-carboxamide
CID 53036077

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide (CID 53115173) is 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide is CCN(CC)CCNC(=O)c1ccc(-c2c(-c3ccc(C)cc3)ncn2C2CCCCC2)o1.
What is the InChIKey of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide?
The InChIKey is ONZXBQXHZNVLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-4-30(5-2)18-17-28-27(32)24-16-15-23(33-24)26-25(21-13-11-20(3)12-14-21)29-19-31(26)22-9-7-6-8-10-22/h11-16,19,22H,4-10,17-18H2,1-3H3,(H,28,32).
What are the key properties of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide?
5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide has a molecular weight of 448.61 g/mol, XLogP of 5.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 53115173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).