4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol

C37H47N3O2 — CID 22493853

IUPAC4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol
SMILESCCCCC(c1[nH]c(-c2ccccc2)nc1-c1ccc(OC)cc1)N(Cc1cc(C)c(O)cc1C)CC1CCCCC1
InChIInChI=1S/C37H47N3O2/c1-5-6-17-33(40(24-28-13-9-7-10-14-28)25-31-22-27(3)34(41)23-26(31)2)36-35(29-18-20-32(42-4)21-19-29)38-37(39-36)30-15-11-8-12-16-30/h8,11-12,15-16,18-23,28,33,41H,5-7,9-10,13-14,17,24-25H2,1-4H3,(H,38,39)
InChIKeyZXTNUTIAMKYZIZ-UHFFFAOYSA-N
MW565.80 g/mol
LogP9.39
Rot. Bonds12

About 4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol

4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol (PubChem CID 22493853) has the molecular formula C37H47N3O2 and a molecular weight of 565.80 g/mol. Its IUPAC name is 4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol
PubChem CID22493853
Molecular FormulaC37H47N3O2
Molecular Weight565.80 g/mol
Exact Mass565.37
IUPAC Name4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol
SMILESCCCCC(c1[nH]c(-c2ccccc2)nc1-c1ccc(OC)cc1)N(Cc1cc(C)c(O)cc1C)CC1CCCCC1
InChIInChI=1S/C37H47N3O2/c1-5-6-17-33(40(24-28-13-9-7-10-14-28)25-31-22-27(3)34(41)23-26(31)2)36-35(29-18-20-32(42-4)21-19-29)38-37(39-36)30-15-11-8-12-16-30/h8,11-12,15-16,18-23,28,33,41H,5-7,9-10,13-14,17,24-25H2,1-4H3,(H,38,39)
InChIKeyZXTNUTIAMKYZIZ-UHFFFAOYSA-N
XLogP9.39
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.80
LogP ≤ 59.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine
CID 58817867
4-[[[3-butyl-5-(4-methoxyphenyl)-2-phenylimidazol-4-yl]methyl-(cyclohexylmethyl)amino]methyl]-2-hydroxybenzamide
CID 18437964
ethyl 4-(4-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605731
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 4148530
2-(4-methoxyphenyl)-5-methyl-4-[4-[[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methyl]phenyl]-1H-imidazole
CID 142406883
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline
CID 154621342
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine
CID 138518982
5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 79698878
N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide
CID 59641976
4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 106625159

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol?
The IUPAC name of 4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol (CID 22493853) is 4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol.
What is the SMILES notation for 4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol?
The canonical SMILES for 4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol is CCCCC(c1[nH]c(-c2ccccc2)nc1-c1ccc(OC)cc1)N(Cc1cc(C)c(O)cc1C)CC1CCCCC1.
What is the InChIKey of 4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol?
The InChIKey is ZXTNUTIAMKYZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47N3O2/c1-5-6-17-33(40(24-28-13-9-7-10-14-28)25-31-22-27(3)34(41)23-26(31)2)36-35(29-18-20-32(42-4)21-19-29)38-37(39-36)30-15-11-8-12-16-30/h8,11-12,15-16,18-23,28,33,41H,5-7,9-10,13-14,17,24-25H2,1-4H3,(H,38,39).
What are the key properties of 4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol?
4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol has a molecular weight of 565.80 g/mol, XLogP of 9.39, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexylmethyl-[1-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]pentyl]amino]methyl]-2,5-dimethylphenol is sourced from PubChem (CID 22493853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).