1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea

C16H22N4O3 — CID 126439923

IUPAC1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea
SMILESCCN(C[C@H](O)c1cccc(O)c1)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C16H22N4O3/c1-2-20(10-15(22)12-4-3-5-14(21)8-12)16(23)18-7-6-13-9-17-11-19-13/h3-5,8-9,11,15,21-22H,2,6-7,10H2,1H3,(H,17,19)(H,18,23)/t15-/m0/s1
InChIKeyMQEDRPJSPUPORC-HNNXBMFYSA-N
MW318.38 g/mol
LogP1.42
Rot. Bonds7

About 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea

1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea (PubChem CID 126439923) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea
PubChem CID126439923
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea
SMILESCCN(C[C@H](O)c1cccc(O)c1)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C16H22N4O3/c1-2-20(10-15(22)12-4-3-5-14(21)8-12)16(23)18-7-6-13-9-17-11-19-13/h3-5,8-9,11,15,21-22H,2,6-7,10H2,1H3,(H,17,19)(H,18,23)/t15-/m0/s1
InChIKeyMQEDRPJSPUPORC-HNNXBMFYSA-N
XLogP1.42
TPSA101.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]urea
CID 126449441
1-ethyl-1-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 126443994
2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 106591544
3-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-1-[(1R)-1-pyridin-3-ylpropyl]urea
CID 126434780
1,1-diethyl-3-(1H-imidazol-5-ylmethyl)urea
CID 79161079
N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 166386141
3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol
CID 62761945
N,2-diethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 77088649
2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 72839360
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide
CID 74241711
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide
CID 65231264
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea?
The IUPAC name of 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea (CID 126439923) is 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea?
The canonical SMILES for 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea is CCN(C[C@H](O)c1cccc(O)c1)C(=O)NCCc1cnc[nH]1.
What is the InChIKey of 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea?
The InChIKey is MQEDRPJSPUPORC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-2-20(10-15(22)12-4-3-5-14(21)8-12)16(23)18-7-6-13-9-17-11-19-13/h3-5,8-9,11,15,21-22H,2,6-7,10H2,1H3,(H,17,19)(H,18,23)/t15-/m0/s1.
What are the key properties of 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea?
1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea has a molecular weight of 318.38 g/mol, XLogP of 1.42, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea is sourced from PubChem (CID 126439923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).