3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea

C18H24N4O2 — CID 126448954

IUPAC3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea
SMILESCN(C(=O)N[C@H](Cn1ccnc1)c1ccccc1)C1CCOCC1
InChIInChI=1S/C18H24N4O2/c1-21(16-7-11-24-12-8-16)18(23)20-17(13-22-10-9-19-14-22)15-5-3-2-4-6-15/h2-6,9-10,14,16-17H,7-8,11-13H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyUGCQIYUOIKERIA-QGZVFWFLSA-N
MW328.42 g/mol
LogP2.44
Rot. Bonds5

About 3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea

3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea (PubChem CID 126448954) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea.

Molecular Properties

Compound Name3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea
PubChem CID126448954
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea
SMILESCN(C(=O)N[C@H](Cn1ccnc1)c1ccccc1)C1CCOCC1
InChIInChI=1S/C18H24N4O2/c1-21(16-7-11-24-12-8-16)18(23)20-17(13-22-10-9-19-14-22)15-5-3-2-4-6-15/h2-6,9-10,14,16-17H,7-8,11-13H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyUGCQIYUOIKERIA-QGZVFWFLSA-N
XLogP2.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea
CID 126448953
N-(2-imidazol-1-yl-1-phenylethyl)-2-methyl-2-morpholin-4-ylpropanamide
CID 91828526
N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide
CID 45178755
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
CID 126429651
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide
CID 124845301
N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 77097472
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 99958729
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 99946597
N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide
CID 162635076
2-(4-amino-2-methylpyrrolidin-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)-2-oxoacetamide
CID 154843659

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea?
The IUPAC name of 3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea (CID 126448954) is 3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea.
What is the SMILES notation for 3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea?
The canonical SMILES for 3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea is CN(C(=O)N[C@H](Cn1ccnc1)c1ccccc1)C1CCOCC1.
What is the InChIKey of 3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea?
The InChIKey is UGCQIYUOIKERIA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21(16-7-11-24-12-8-16)18(23)20-17(13-22-10-9-19-14-22)15-5-3-2-4-6-15/h2-6,9-10,14,16-17H,7-8,11-13H2,1H3,(H,20,23)/t17-/m1/s1.
What are the key properties of 3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea?
3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea has a molecular weight of 328.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea is sourced from PubChem (CID 126448954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).