1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea

C19H24N4O2 — CID 98849989

IUPAC1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
SMILESO=C(NCc1nccn1CCc1ccccc1)N[C@H]1C[C@H]2CC[C@H]1O2
InChIInChI=1S/C19H24N4O2/c24-19(22-16-12-15-6-7-17(16)25-15)21-13-18-20-9-11-23(18)10-8-14-4-2-1-3-5-14/h1-5,9,11,15-17H,6-8,10,12-13H2,(H2,21,22,24)/t15-,16+,17-/m1/s1
InChIKeyRUUKPGBBTISMOW-IXDOHACOSA-N
MW340.43 g/mol
LogP2.24
Rot. Bonds6

About 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea

1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea (PubChem CID 98849989) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
PubChem CID98849989
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
SMILESO=C(NCc1nccn1CCc1ccccc1)N[C@H]1C[C@H]2CC[C@H]1O2
InChIInChI=1S/C19H24N4O2/c24-19(22-16-12-15-6-7-17(16)25-15)21-13-18-20-9-11-23(18)10-8-14-4-2-1-3-5-14/h1-5,9,11,15-17H,6-8,10,12-13H2,(H2,21,22,24)/t15-,16+,17-/m1/s1
InChIKeyRUUKPGBBTISMOW-IXDOHACOSA-N
XLogP2.24
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 103760232
(1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378072
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 96970148
1-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-3-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 138049729
1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 96990226
2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898678
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898680
1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122005626
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 98873454
5-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 80720484
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119898701

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea?
The IUPAC name of 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea (CID 98849989) is 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea.
What is the SMILES notation for 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea?
The canonical SMILES for 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea is O=C(NCc1nccn1CCc1ccccc1)N[C@H]1C[C@H]2CC[C@H]1O2.
What is the InChIKey of 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea?
The InChIKey is RUUKPGBBTISMOW-IXDOHACOSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(22-16-12-15-6-7-17(16)25-15)21-13-18-20-9-11-23(18)10-8-14-4-2-1-3-5-14/h1-5,9,11,15-17H,6-8,10,12-13H2,(H2,21,22,24)/t15-,16+,17-/m1/s1.
What are the key properties of 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea?
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea has a molecular weight of 340.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea is sourced from PubChem (CID 98849989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).