1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea

C19H26N4O2 — CID 95969128

IUPAC1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C19H26N4O2/c1-3-22(13-18-8-5-11-25-18)19(24)21-15(2)16-6-4-7-17(12-16)23-10-9-20-14-23/h4,6-7,9-10,12,14-15,18H,3,5,8,11,13H2,1-2H3,(H,21,24)/t15-,18+/m1/s1
InChIKeyOGWUCWVUCXYRBV-QAPCUYQASA-N
MW342.44 g/mol
LogP3.14
Rot. Bonds6

About 1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea

1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 95969128) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID95969128
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C19H26N4O2/c1-3-22(13-18-8-5-11-25-18)19(24)21-15(2)16-6-4-7-17(12-16)23-10-9-20-14-23/h4,6-7,9-10,12,14-15,18H,3,5,8,11,13H2,1-2H3,(H,21,24)/t15-,18+/m1/s1
InChIKeyOGWUCWVUCXYRBV-QAPCUYQASA-N
XLogP3.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea with MolForge

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Related Compounds

3-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95969130
N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine
CID 86818574
(3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 95969150
(3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 95969134
1-ethyl-3-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95968273
2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 86806189
1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea
CID 86893073
5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 99817467
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94178029
3-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61438951
N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119899677
N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942551

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea (CID 95969128) is 1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea is CCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1.
What is the InChIKey of 1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is OGWUCWVUCXYRBV-QAPCUYQASA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-22(13-18-8-5-11-25-18)19(24)21-15(2)16-6-4-7-17(12-16)23-10-9-20-14-23/h4,6-7,9-10,12,14-15,18H,3,5,8,11,13H2,1-2H3,(H,21,24)/t15-,18+/m1/s1.
What are the key properties of 1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 95969128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).