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

C13H20F2N4O2 — CID 111630864

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(NCc1nccn1C(F)F)NC1CCCCC1CO
InChIInChI=1S/C13H20F2N4O2/c14-12(15)19-6-5-16-11(19)7-17-13(21)18-10-4-2-1-3-9(10)8-20/h5-6,9-10,12,20H,1-4,7-8H2,(H2,17,18,21)
InChIKeyDANKVAOFNFVNGM-UHFFFAOYSA-N
MW302.32 g/mol
LogP1.63
Rot. Bonds5

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

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea (PubChem CID 111630864) has the molecular formula C13H20F2N4O2 and a molecular weight of 302.32 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
PubChem CID111630864
Molecular FormulaC13H20F2N4O2
Molecular Weight302.32 g/mol
Exact Mass302.16
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(NCc1nccn1C(F)F)NC1CCCCC1CO
InChIInChI=1S/C13H20F2N4O2/c14-12(15)19-6-5-16-11(19)7-17-13(21)18-10-4-2-1-3-9(10)8-20/h5-6,9-10,12,20H,1-4,7-8H2,(H2,17,18,21)
InChIKeyDANKVAOFNFVNGM-UHFFFAOYSA-N
XLogP1.63
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea (CID 111630864) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea is O=C(NCc1nccn1C(F)F)NC1CCCCC1CO.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The InChIKey is DANKVAOFNFVNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4O2/c14-12(15)19-6-5-16-11(19)7-17-13(21)18-10-4-2-1-3-9(10)8-20/h5-6,9-10,12,20H,1-4,7-8H2,(H2,17,18,21).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea has a molecular weight of 302.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea is sourced from PubChem (CID 111630864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).