3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea

C18H26N4O2 — CID 95302643

IUPAC3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
SMILESCOc1c(C)cc(CN(C)C(=O)N[C@@H](C)Cn2ccnc2)cc1C
InChIInChI=1S/C18H26N4O2/c1-13-8-16(9-14(2)17(13)24-5)11-21(4)18(23)20-15(3)10-22-7-6-19-12-22/h6-9,12,15H,10-11H2,1-5H3,(H,20,23)/t15-/m0/s1
InChIKeyUUBSRFZMCQWUMG-HNNXBMFYSA-N
MW330.43 g/mol
LogP2.74
Rot. Bonds6

About 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea

3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea (PubChem CID 95302643) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
PubChem CID95302643
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
SMILESCOc1c(C)cc(CN(C)C(=O)N[C@@H](C)Cn2ccnc2)cc1C
InChIInChI=1S/C18H26N4O2/c1-13-8-16(9-14(2)17(13)24-5)11-21(4)18(23)20-15(3)10-22-7-6-19-12-22/h6-9,12,15H,10-11H2,1-5H3,(H,20,23)/t15-/m0/s1
InChIKeyUUBSRFZMCQWUMG-HNNXBMFYSA-N
XLogP2.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea with MolForge

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Related Compounds

1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 47253391
1-[(2,3-dimethoxyphenyl)methyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methylurea
CID 94122784
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 53499224
1-[(5-chlorothiophen-2-yl)methyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methylurea
CID 94122892
1-[(5-chlorothiophen-2-yl)methyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]-1-methylurea
CID 94122893
1-[(4-methoxy-3-methylphenyl)methyl]-1-methyl-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 95760501
2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480594
3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea
CID 95334652
3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 86880553
1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-methyl-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 95383507
2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480558
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea?
The IUPAC name of 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea (CID 95302643) is 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea?
The canonical SMILES for 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea is COc1c(C)cc(CN(C)C(=O)N[C@@H](C)Cn2ccnc2)cc1C.
What is the InChIKey of 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea?
The InChIKey is UUBSRFZMCQWUMG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-8-16(9-14(2)17(13)24-5)11-21(4)18(23)20-15(3)10-22-7-6-19-12-22/h6-9,12,15H,10-11H2,1-5H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea?
3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea has a molecular weight of 330.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea is sourced from PubChem (CID 95302643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).