1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea

C18H32N4O2 — CID 97054799

IUPAC1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
SMILESCc1nccn1C[C@H](C)CNC(=O)N[C@@](C)(CO)C1CCCCC1
InChIInChI=1S/C18H32N4O2/c1-14(12-22-10-9-19-15(22)2)11-20-17(24)21-18(3,13-23)16-7-5-4-6-8-16/h9-10,14,16,23H,4-8,11-13H2,1-3H3,(H2,20,21,24)/t14-,18+/m1/s1
InChIKeyZDICMRFIENENJC-KDOFPFPSSA-N
MW336.48 g/mol
LogP2.46
Rot. Bonds7

About 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea

1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea (PubChem CID 97054799) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
PubChem CID97054799
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
SMILESCc1nccn1C[C@H](C)CNC(=O)N[C@@](C)(CO)C1CCCCC1
InChIInChI=1S/C18H32N4O2/c1-14(12-22-10-9-19-15(22)2)11-20-17(24)21-18(3,13-23)16-7-5-4-6-8-16/h9-10,14,16,23H,4-8,11-13H2,1-3H3,(H2,20,21,24)/t14-,18+/m1/s1
InChIKeyZDICMRFIENENJC-KDOFPFPSSA-N
XLogP2.46
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea with MolForge

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Related Compounds

1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 84586574
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1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
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1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
CID 97320279
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2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 119857841
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111435084
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
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N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The IUPAC name of 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea (CID 97054799) is 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea.
What is the SMILES notation for 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The canonical SMILES for 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea is Cc1nccn1C[C@H](C)CNC(=O)N[C@@](C)(CO)C1CCCCC1.
What is the InChIKey of 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The InChIKey is ZDICMRFIENENJC-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-14(12-22-10-9-19-15(22)2)11-20-17(24)21-18(3,13-23)16-7-5-4-6-8-16/h9-10,14,16,23H,4-8,11-13H2,1-3H3,(H2,20,21,24)/t14-,18+/m1/s1.
What are the key properties of 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea has a molecular weight of 336.48 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea is sourced from PubChem (CID 97054799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).