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

C18H32N4O2 — CID 97320279

IUPAC1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
SMILESCC(C)[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1nccn1C
InChIInChI=1S/C18H32N4O2/c1-13(2)15(16-19-10-11-22(16)4)20-17(24)21-18(3,12-23)14-8-6-5-7-9-14/h10-11,13-15,23H,5-9,12H2,1-4H3,(H2,20,21,24)/t15-,18-/m0/s1
InChIKeyMIBGKWPTSWLJLB-YJBOKZPZSA-N
MW336.48 g/mol
LogP2.75
Rot. Bonds6

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

1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea (PubChem CID 97320279) 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-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
PubChem CID97320279
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
SMILESCC(C)[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1nccn1C
InChIInChI=1S/C18H32N4O2/c1-13(2)15(16-19-10-11-22(16)4)20-17(24)21-18(3,12-23)14-8-6-5-7-9-14/h10-11,13-15,23H,5-9,12H2,1-4H3,(H2,20,21,24)/t15-,18-/m0/s1
InChIKeyMIBGKWPTSWLJLB-YJBOKZPZSA-N
XLogP2.75
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol
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CID 62552690
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CID 99825425
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1-(2-Cyclohexyl-2-hydroxypropyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?
The IUPAC name of 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea (CID 97320279) is 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?
The canonical SMILES for 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea is CC(C)[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1nccn1C.
What is the InChIKey of 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?
The InChIKey is MIBGKWPTSWLJLB-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-13(2)15(16-19-10-11-22(16)4)20-17(24)21-18(3,12-23)14-8-6-5-7-9-14/h10-11,13-15,23H,5-9,12H2,1-4H3,(H2,20,21,24)/t15-,18-/m0/s1.
What are the key properties of 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?
1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea has a molecular weight of 336.48 g/mol, XLogP of 2.75, 6 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-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea is sourced from PubChem (CID 97320279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).