(1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine

C39H49F2N3O — CID 58817867

IUPAC(1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine
SMILESCCCC[C@@H](c1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC)N(Cc1ccc(OC(F)F)cc1)CC1CCCCC1
InChIInChI=1S/C39H49F2N3O/c1-3-5-22-35(43(28-30-16-10-7-11-17-30)29-31-23-25-34(26-24-31)45-39(40)41)37-36(32-18-12-8-13-19-32)42-38(44(37)27-6-4-2)33-20-14-9-15-21-33/h8-9,12-15,18-21,23-26,30,35,39H,3-7,10-11,16-17,22,27-29H2,1-2H3/t35-/m0/s1
InChIKeyZKLKSKAJNLMIHJ-DHUJRADRSA-N
MW613.84 g/mol
LogP10.93
Rot. Bonds16

About (1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine

(1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine (PubChem CID 58817867) has the molecular formula C39H49F2N3O and a molecular weight of 613.84 g/mol. Its IUPAC name is (1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine
PubChem CID58817867
Molecular FormulaC39H49F2N3O
Molecular Weight613.84 g/mol
Exact Mass613.38
IUPAC Name(1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine
SMILESCCCC[C@@H](c1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC)N(Cc1ccc(OC(F)F)cc1)CC1CCCCC1
InChIInChI=1S/C39H49F2N3O/c1-3-5-22-35(43(28-30-16-10-7-11-17-30)29-31-23-25-34(26-24-31)45-39(40)41)37-36(32-18-12-8-13-19-32)42-38(44(37)27-6-4-2)33-20-14-9-15-21-33/h8-9,12-15,18-21,23-26,30,35,39H,3-7,10-11,16-17,22,27-29H2,1-2H3/t35-/m0/s1
InChIKeyZKLKSKAJNLMIHJ-DHUJRADRSA-N
XLogP10.93
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.84
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine 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

4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]cyclohexane-1,2-diol
CID 18437915
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 18438337
1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
CID 18437757
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-(3,4-dihydroquinolin-6-ylmethyl)methanamine
CID 140576048
N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine
CID 18438552
3-[[1-(3-butyl-2-phenylimidazol-4-yl)pentyl-(cyclohexylmethyl)amino]methyl]benzoic acid
CID 69325860
(1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-[[4-(fluoromethoxy)phenyl]methyl]ethanamine
CID 67209397
N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-1-[4-(difluoromethoxy)phenyl]methanamine
CID 18437564
4-[[1,3-benzodioxol-5-ylmethyl-[(1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)pentyl]amino]methyl]-2,6-dimethylphenol
CID 58817955
N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 142815143
N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine
CID 69327050
4-[[[3-butyl-5-(4-methoxyphenyl)-2-phenylimidazol-4-yl]methyl-(cyclohexylmethyl)amino]methyl]-2-hydroxybenzamide
CID 18437964

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine?
The IUPAC name of (1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine (CID 58817867) is (1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine.
What is the SMILES notation for (1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine?
The canonical SMILES for (1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine is CCCC[C@@H](c1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC)N(Cc1ccc(OC(F)F)cc1)CC1CCCCC1.
What is the InChIKey of (1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine?
The InChIKey is ZKLKSKAJNLMIHJ-DHUJRADRSA-N. The full InChI is InChI=1S/C39H49F2N3O/c1-3-5-22-35(43(28-30-16-10-7-11-17-30)29-31-23-25-34(26-24-31)45-39(40)41)37-36(32-18-12-8-13-19-32)42-38(44(37)27-6-4-2)33-20-14-9-15-21-33/h8-9,12-15,18-21,23-26,30,35,39H,3-7,10-11,16-17,22,27-29H2,1-2H3/t35-/m0/s1.
What are the key properties of (1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine?
(1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine has a molecular weight of 613.84 g/mol, XLogP of 10.93, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine is sourced from PubChem (CID 58817867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).