1-[(2R)-2-cyclohexyl-2-hydroxypropyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea

C15H24F2N4O2 — CID 99825425

IUPAC1-[(2R)-2-cyclohexyl-2-hydroxypropyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea
SMILESC[C@](O)(CNC(=O)NCc1nccn1C(F)F)C1CCCCC1
InChIInChI=1S/C15H24F2N4O2/c1-15(23,11-5-3-2-4-6-11)10-20-14(22)19-9-12-18-7-8-21(12)13(16)17/h7-8,11,13,23H,2-6,9-10H2,1H3,(H2,19,20,22)/t15-/m0/s1
InChIKeyVTRVDEARKRAEMR-HNNXBMFYSA-N
MW330.38 g/mol
LogP2.41
Rot. Bonds6

About 1-[(2R)-2-cyclohexyl-2-hydroxypropyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea

1-[(2R)-2-cyclohexyl-2-hydroxypropyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea (PubChem CID 99825425) has the molecular formula C15H24F2N4O2 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[(2R)-2-cyclohexyl-2-hydroxypropyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-cyclohexyl-2-hydroxypropyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea
PubChem CID99825425
Molecular FormulaC15H24F2N4O2
Molecular Weight330.38 g/mol
Exact Mass330.19
IUPAC Name1-[(2R)-2-cyclohexyl-2-hydroxypropyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea
SMILESC[C@](O)(CNC(=O)NCc1nccn1C(F)F)C1CCCCC1
InChIInChI=1S/C15H24F2N4O2/c1-15(23,11-5-3-2-4-6-11)10-20-14(22)19-9-12-18-7-8-21(12)13(16)17/h7-8,11,13,23H,2-6,9-10H2,1H3,(H2,19,20,22)/t15-/m0/s1
InChIKeyVTRVDEARKRAEMR-HNNXBMFYSA-N
XLogP2.41
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclohexyl-2-hydroxypropyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea?
The IUPAC name of 1-[(2R)-2-cyclohexyl-2-hydroxypropyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea (CID 99825425) is 1-[(2R)-2-cyclohexyl-2-hydroxypropyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea.
What is the SMILES notation for 1-[(2R)-2-cyclohexyl-2-hydroxypropyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea?
The canonical SMILES for 1-[(2R)-2-cyclohexyl-2-hydroxypropyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea is C[C@](O)(CNC(=O)NCc1nccn1C(F)F)C1CCCCC1.
What is the InChIKey of 1-[(2R)-2-cyclohexyl-2-hydroxypropyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea?
The InChIKey is VTRVDEARKRAEMR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24F2N4O2/c1-15(23,11-5-3-2-4-6-11)10-20-14(22)19-9-12-18-7-8-21(12)13(16)17/h7-8,11,13,23H,2-6,9-10H2,1H3,(H2,19,20,22)/t15-/m0/s1.
What are the key properties of 1-[(2R)-2-cyclohexyl-2-hydroxypropyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea?
1-[(2R)-2-cyclohexyl-2-hydroxypropyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea has a molecular weight of 330.38 g/mol, XLogP of 2.41, 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-2-hydroxypropyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]urea is sourced from PubChem (CID 99825425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).