N-[3-(2-amino-4-cyclohexyl-1-methyl-5-oxoimidazol-4-yl)phenyl]butanamide

C20H28N4O2 — CID 46225238

IUPACN-[3-(2-amino-4-cyclohexyl-1-methyl-5-oxoimidazol-4-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(C2(C3CCCCC3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C20H28N4O2/c1-3-8-17(25)22-16-12-7-11-15(13-16)20(14-9-5-4-6-10-14)18(26)24(2)19(21)23-20/h7,11-14H,3-6,8-10H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyAQMDTMDYMXRAFN-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.99
Rot. Bonds5

About N-[3-(2-amino-4-cyclohexyl-1-methyl-5-oxoimidazol-4-yl)phenyl]butanamide

N-[3-(2-amino-4-cyclohexyl-1-methyl-5-oxoimidazol-4-yl)phenyl]butanamide (PubChem CID 46225238) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[3-(2-amino-4-cyclohexyl-1-methyl-5-oxoimidazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-(2-amino-4-cyclohexyl-1-methyl-5-oxoimidazol-4-yl)phenyl]butanamide
PubChem CID46225238
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[3-(2-amino-4-cyclohexyl-1-methyl-5-oxoimidazol-4-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(C2(C3CCCCC3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C20H28N4O2/c1-3-8-17(25)22-16-12-7-11-15(13-16)20(14-9-5-4-6-10-14)18(26)24(2)19(21)23-20/h7,11-14H,3-6,8-10H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyAQMDTMDYMXRAFN-UHFFFAOYSA-N
XLogP2.99
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1r,3s)-3-{[(2e,4r)-4-(2-Cyclohexylethyl)-2-Imino-1-Methyl-5-Oxoimidazolidin-4-Yl]methyl}cyclohexyl]-3-Phenylurea
CID 57844259
(2z,6s)-2-Imino-6-Methyl-3-{3-[(4r)-2-Oxo-4-Phenylpyrrolidin-1-Yl]benzyl}-6-(Propan-2-Yl)tetrahydropyrimidin-4(1h)-One
CID 71738915
N-(3-(2-amino-4-cyclohexyl-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)phenyl)-2-methoxyacetamide
CID 16051697
1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(4-cyanophenyl)urea
CID 59262353
(6S)-2-amino-3-[[3-fluoro-5-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one
CID 89818372
3-Benzyl-2-(3,5-dimethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 655768
3-Phenethyl-2-m-tolylamino-3,5-dihydro-imidazol-4-one
CID 1454452
N-(3,5-dimethylphenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 9551955
(6S)-2-amino-6-methyl-3-[[3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one
CID 118728410
2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(3-methylphenyl)acetamide
CID 16012320
N-(3-(2-amino-4-cyclohexyl-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)phenyl)-3-methoxypropanamide
CID 16051584
N-[3-((S)-2-Amino-1,4,5,5-tetramethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-4-fluoro-phenyl]-isobutyramide
CID 66727564

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4-cyclohexyl-1-methyl-5-oxoimidazol-4-yl)phenyl]butanamide?
The IUPAC name of N-[3-(2-amino-4-cyclohexyl-1-methyl-5-oxoimidazol-4-yl)phenyl]butanamide (CID 46225238) is N-[3-(2-amino-4-cyclohexyl-1-methyl-5-oxoimidazol-4-yl)phenyl]butanamide.
What is the SMILES notation for N-[3-(2-amino-4-cyclohexyl-1-methyl-5-oxoimidazol-4-yl)phenyl]butanamide?
The canonical SMILES for N-[3-(2-amino-4-cyclohexyl-1-methyl-5-oxoimidazol-4-yl)phenyl]butanamide is CCCC(=O)Nc1cccc(C2(C3CCCCC3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of N-[3-(2-amino-4-cyclohexyl-1-methyl-5-oxoimidazol-4-yl)phenyl]butanamide?
The InChIKey is AQMDTMDYMXRAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-8-17(25)22-16-12-7-11-15(13-16)20(14-9-5-4-6-10-14)18(26)24(2)19(21)23-20/h7,11-14H,3-6,8-10H2,1-2H3,(H2,21,23)(H,22,25).
What are the key properties of N-[3-(2-amino-4-cyclohexyl-1-methyl-5-oxoimidazol-4-yl)phenyl]butanamide?
N-[3-(2-amino-4-cyclohexyl-1-methyl-5-oxoimidazol-4-yl)phenyl]butanamide has a molecular weight of 356.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-cyclohexyl-1-methyl-5-oxoimidazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 46225238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).