1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea

C18H24N4O2 — CID 75377545

IUPAC1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
SMILESO=C(NCc1nccn1CCc1ccccc1)NCC1(O)CCC1
InChIInChI=1S/C18H24N4O2/c23-17(21-14-18(24)8-4-9-18)20-13-16-19-10-12-22(16)11-7-15-5-2-1-3-6-15/h1-3,5-6,10,12,24H,4,7-9,11,13-14H2,(H2,20,21,23)
InChIKeyQWRJXSAAURDMPE-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.84
Rot. Bonds7

About 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea

1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea (PubChem CID 75377545) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
PubChem CID75377545
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
SMILESO=C(NCc1nccn1CCc1ccccc1)NCC1(O)CCC1
InChIInChI=1S/C18H24N4O2/c23-17(21-14-18(24)8-4-9-18)20-13-16-19-10-12-22(16)11-7-15-5-2-1-3-6-15/h1-3,5-6,10,12,24H,4,7-9,11,13-14H2,(H2,20,21,23)
InChIKeyQWRJXSAAURDMPE-UHFFFAOYSA-N
XLogP1.84
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea (CID 75377545) is 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea is O=C(NCc1nccn1CCc1ccccc1)NCC1(O)CCC1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea?
The InChIKey is QWRJXSAAURDMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17(21-14-18(24)8-4-9-18)20-13-16-19-10-12-22(16)11-7-15-5-2-1-3-6-15/h1-3,5-6,10,12,24H,4,7-9,11,13-14H2,(H2,20,21,23).
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea?
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea has a molecular weight of 328.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea is sourced from PubChem (CID 75377545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).