1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea

C21H30N4O2 — CID 125435291

IUPAC1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea
SMILESCCn1cncc1CNC(=O)N(C[C@@H](O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H30N4O2/c1-2-24-16-22-13-19(24)14-23-21(27)25(18-11-7-4-8-12-18)15-20(26)17-9-5-3-6-10-17/h3,5-6,9-10,13,16,18,20,26H,2,4,7-8,11-12,14-15H2,1H3,(H,23,27)/t20-/m1/s1
InChIKeyBMIZFPMIOXUUDB-HXUWFJFHSA-N
MW370.50 g/mol
LogP3.48
Rot. Bonds7

About 1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea

1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea (PubChem CID 125435291) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea
PubChem CID125435291
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea
SMILESCCn1cncc1CNC(=O)N(C[C@@H](O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H30N4O2/c1-2-24-16-22-13-19(24)14-23-21(27)25(18-11-7-4-8-12-18)15-20(26)17-9-5-3-6-10-17/h3,5-6,9-10,13,16,18,20,26H,2,4,7-8,11-12,14-15H2,1H3,(H,23,27)/t20-/m1/s1
InChIKeyBMIZFPMIOXUUDB-HXUWFJFHSA-N
XLogP3.48
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea
CID 96526448
1-cyclohexyl-1-[(2R)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
CID 97437062
N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide
CID 122569446
2-(dicyclohexylamino)-1-phenylethanol
CID 10946557
(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 125445470
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea
CID 111793378
N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 66132973
N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide;formic acid
CID 154911064
N-cyclohexyl-N-ethyl-2,2-diphenylacetamide
CID 21210383
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea
CID 111722540
2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 50955551
1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea
CID 112806156

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea (CID 125435291) is 1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea is CCn1cncc1CNC(=O)N(C[C@@H](O)c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea?
The InChIKey is BMIZFPMIOXUUDB-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-2-24-16-22-13-19(24)14-23-21(27)25(18-11-7-4-8-12-18)15-20(26)17-9-5-3-6-10-17/h3,5-6,9-10,13,16,18,20,26H,2,4,7-8,11-12,14-15H2,1H3,(H,23,27)/t20-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea?
1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea has a molecular weight of 370.50 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea is sourced from PubChem (CID 125435291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).