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

C29H31N3O3 — CID 53115177

IUPAC5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(-c2c(-c3ccc(C)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C29H31N3O3/c1-20-12-14-21(15-13-20)27-28(32(19-31-27)23-9-4-3-5-10-23)25-16-17-26(35-25)29(33)30-18-22-8-6-7-11-24(22)34-2/h6-8,11-17,19,23H,3-5,9-10,18H2,1-2H3,(H,30,33)
InChIKeyLOPDDOGVZMDCNS-UHFFFAOYSA-N
MW469.59 g/mol
LogP6.56
Rot. Bonds7

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

5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 53115177) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID53115177
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(-c2c(-c3ccc(C)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C29H31N3O3/c1-20-12-14-21(15-13-20)27-28(32(19-31-27)23-9-4-3-5-10-23)25-16-17-26(35-25)29(33)30-18-22-8-6-7-11-24(22)34-2/h6-8,11-17,19,23H,3-5,9-10,18H2,1-2H3,(H,30,33)
InChIKeyLOPDDOGVZMDCNS-UHFFFAOYSA-N
XLogP6.56
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 53115285
5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 53115178
5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 53115173
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methylphenyl)furan-2-carboxamide
CID 53036086
5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 95087066
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]furan-2-carboxamide
CID 95087041
[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone
CID 53036147
tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 158471441
N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 160695530
5-chloro-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 32739421
N-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681416
1-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-5-methylpyrazole-4-carboxamide
CID 129248444

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (CID 53115177) is 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccccc1CNC(=O)c1ccc(-c2c(-c3ccc(C)cc3)ncn2C2CCCCC2)o1.
What is the InChIKey of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is LOPDDOGVZMDCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-20-12-14-21(15-13-20)27-28(32(19-31-27)23-9-4-3-5-10-23)25-16-17-26(35-25)29(33)30-18-22-8-6-7-11-24(22)34-2/h6-8,11-17,19,23H,3-5,9-10,18H2,1-2H3,(H,30,33).
What are the key properties of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 6.56, 7 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-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 53115177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).