ethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate

C25H36N4O3 — CID 130455649

IUPACethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate
SMILESCCOC(=O)NC1(C(=O)N[C@H](c2ncc(-c3ccc(C)cc3)[nH]2)C(C)(C)C)CCCCC1
InChIInChI=1S/C25H36N4O3/c1-6-32-23(31)29-25(14-8-7-9-15-25)22(30)28-20(24(3,4)5)21-26-16-19(27-21)18-12-10-17(2)11-13-18/h10-13,16,20H,6-9,14-15H2,1-5H3,(H,26,27)(H,28,30)(H,29,31)/t20-/m1/s1
InChIKeySROLDRLCWCUWPE-HXUWFJFHSA-N
MW440.59 g/mol
LogP5.04
Rot. Bonds6

About ethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate

ethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate (PubChem CID 130455649) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is ethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate
PubChem CID130455649
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Nameethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate
SMILESCCOC(=O)NC1(C(=O)N[C@H](c2ncc(-c3ccc(C)cc3)[nH]2)C(C)(C)C)CCCCC1
InChIInChI=1S/C25H36N4O3/c1-6-32-23(31)29-25(14-8-7-9-15-25)22(30)28-20(24(3,4)5)21-26-16-19(27-21)18-12-10-17(2)11-13-18/h10-13,16,20H,6-9,14-15H2,1-5H3,(H,26,27)(H,28,30)(H,29,31)/t20-/m1/s1
InChIKeySROLDRLCWCUWPE-HXUWFJFHSA-N
XLogP5.04
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate 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

1-[amino(hydroxy)methyl]-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[1-[amino(hydroxy)methyl]cyclopropanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclopropane-1-carboxamide
CID 161340811
tert-butyl 2-[[1-[5-[4-[4-[2-[2,2-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-oxoacetate
CID 123955474
2-hydroxy-N-[1-[5-[4-[4-[2-[1-[[2-hydroxy-2-(1-methylcyclopropyl)propanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-(1-methylcyclopropyl)propanamide
CID 123863270
[1-[[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(dimethylcarbamoyloxy)-2-(1-methylcyclopropyl)propanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-(1-methylcyclopropyl)-1-oxopropan-2-yl] N,N-dimethylcarbamate
CID 135301315
2-[[1-[5-[4-[4-[2-(1-acetamido-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-oxoacetic acid
CID 134570895
2-(cyclohexen-1-yl)-N-[1-[5-[4-[4-[2-[1-[[2-(cyclohexen-1-yl)-2-methylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methylpropanamide
CID 123460425
[3-[[1-[5-[4-[4-[2-(2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamoyl]-2-oxabicyclo[2.2.2]octan-3-yl]methyl propanoate
CID 126560606
1-[2-[[(Z)-2-[4-[4-[2-[1-[(1-carboxycyclohexanecarbonyl)amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-2-(methylideneamino)ethenyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 134570798
N-[1-[5-[4-[5-[2-[1-[(5,5-difluoro-2-methyloxane-2-carbonyl)amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide
CID 123232449
(2R)-N-[1-[5-[4-[(1S,4S)-4-[4-[2-[(1S)-1-[[(2R)-5,5-difluoro-2-methyloxane-2-carbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]cyclobut-2-yn-1-yl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide
CID 163702162
[1-[[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(azetidine-1-carbonyloxy)-2-cyclopropylpropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-cyclopropyl-1-oxopropan-2-yl] azetidine-1-carboxylate
CID 126560617
tert-butyl N-[2-[5-[2-[4-[2-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]-3,3-dimethylbutylidene]carbamate
CID 123358140

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate?
The IUPAC name of ethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate (CID 130455649) is ethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate.
What is the SMILES notation for ethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate?
The canonical SMILES for ethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate is CCOC(=O)NC1(C(=O)N[C@H](c2ncc(-c3ccc(C)cc3)[nH]2)C(C)(C)C)CCCCC1.
What is the InChIKey of ethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate?
The InChIKey is SROLDRLCWCUWPE-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-6-32-23(31)29-25(14-8-7-9-15-25)22(30)28-20(24(3,4)5)21-26-16-19(27-21)18-12-10-17(2)11-13-18/h10-13,16,20H,6-9,14-15H2,1-5H3,(H,26,27)(H,28,30)(H,29,31)/t20-/m1/s1.
What are the key properties of ethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate?
ethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate has a molecular weight of 440.59 g/mol, XLogP of 5.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]carbamoyl]cyclohexyl]carbamate is sourced from PubChem (CID 130455649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).