1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea

C18H24N4O2 — CID 72941380

IUPAC1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea
SMILESCC(=O)c1ccc(NC(=O)NC(Cn2ccnc2)C(C)(C)C)cc1
InChIInChI=1S/C18H24N4O2/c1-13(23)14-5-7-15(8-6-14)20-17(24)21-16(18(2,3)4)11-22-10-9-19-12-22/h5-10,12,16H,11H2,1-4H3,(H2,20,21,24)
InChIKeyDORBKNGEWDGKMM-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.32
Rot. Bonds5

About 1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea

1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea (PubChem CID 72941380) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea
PubChem CID72941380
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea
SMILESCC(=O)c1ccc(NC(=O)NC(Cn2ccnc2)C(C)(C)C)cc1
InChIInChI=1S/C18H24N4O2/c1-13(23)14-5-7-15(8-6-14)20-17(24)21-16(18(2,3)4)11-22-10-9-19-12-22/h5-10,12,16H,11H2,1-4H3,(H2,20,21,24)
InChIKeyDORBKNGEWDGKMM-UHFFFAOYSA-N
XLogP3.32
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea
CID 93233544
4-[[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]carbamoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 94825715
1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 97455492
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]urea
CID 125167700
1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(1H-indazol-5-yl)urea
CID 97282072
1-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 118778636
4-chloro-3-fluoro-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)benzamide
CID 131909336
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-4-(methoxymethyl)benzamide
CID 95050216
N-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 51118182
1-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]urea
CID 94805776
1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 94102393
3-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 75373604

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea (CID 72941380) is 1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea is CC(=O)c1ccc(NC(=O)NC(Cn2ccnc2)C(C)(C)C)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea?
The InChIKey is DORBKNGEWDGKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(23)14-5-7-15(8-6-14)20-17(24)21-16(18(2,3)4)11-22-10-9-19-12-22/h5-10,12,16H,11H2,1-4H3,(H2,20,21,24).
What are the key properties of 1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea?
1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea has a molecular weight of 328.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea is sourced from PubChem (CID 72941380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).