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

C29H31N3O3 — CID 53115178

IUPAC5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3c(-c4ccc(C)cc4)ncn3C3CCCCC3)o2)c1
InChIInChI=1S/C29H31N3O3/c1-20-11-13-22(14-12-20)27-28(32(19-31-27)23-8-4-3-5-9-23)25-15-16-26(35-25)29(33)30-18-21-7-6-10-24(17-21)34-2/h6-7,10-17,19,23H,3-5,8-9,18H2,1-2H3,(H,30,33)
InChIKeySXPRPFKBZMAAOJ-UHFFFAOYSA-N
MW469.59 g/mol
LogP6.56
Rot. Bonds7

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

5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 53115178) 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-[(3-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID53115178
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3c(-c4ccc(C)cc4)ncn3C3CCCCC3)o2)c1
InChIInChI=1S/C29H31N3O3/c1-20-11-13-22(14-12-20)27-28(32(19-31-27)23-8-4-3-5-9-23)25-15-16-26(35-25)29(33)30-18-21-7-6-10-24(17-21)34-2/h6-7,10-17,19,23H,3-5,8-9,18H2,1-2H3,(H,30,33)
InChIKeySXPRPFKBZMAAOJ-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-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-ethylphenyl)methyl]furan-2-carboxamide
CID 53115293
5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 53115177
N-[(3-chlorophenyl)methyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 53115200
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-[(1R)-1-(2,4-dimethylphenyl)ethyl]furan-2-carboxamide
CID 95087041
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methylphenyl)furan-2-carboxamide
CID 53036086
N-(4-acetamidophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 157241361
5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 95087066
4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 50847066
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-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone
CID 53036107

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide (CID 53115178) is 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide is COc1cccc(CNC(=O)c2ccc(-c3c(-c4ccc(C)cc4)ncn3C3CCCCC3)o2)c1.
What is the InChIKey of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is SXPRPFKBZMAAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-20-11-13-22(14-12-20)27-28(32(19-31-27)23-8-4-3-5-9-23)25-15-16-26(35-25)29(33)30-18-21-7-6-10-24(17-21)34-2/h6-7,10-17,19,23H,3-5,8-9,18H2,1-2H3,(H,30,33).
What are the key properties of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide?
5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(3-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-[(3-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 53115178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).