1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea

C15H25F2N5O — CID 164635369

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea
SMILESCN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1nccn1C(F)F
InChIInChI=1S/C15H25F2N5O/c1-15(2)5-4-7-21(3)11(15)9-19-14(23)20-10-12-18-6-8-22(12)13(16)17/h6,8,11,13H,4-5,7,9-10H2,1-3H3,(H2,19,20,23)/t11-/m0/s1
InChIKeyGWPSRFUJZJTFDI-NSHDSACASA-N
MW329.40 g/mol
LogP2.20
Rot. Bonds5

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea (PubChem CID 164635369) has the molecular formula C15H25F2N5O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea
PubChem CID164635369
Molecular FormulaC15H25F2N5O
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea
SMILESCN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1nccn1C(F)F
InChIInChI=1S/C15H25F2N5O/c1-15(2)5-4-7-21(3)11(15)9-19-14(23)20-10-12-18-6-8-22(12)13(16)17/h6,8,11,13H,4-5,7,9-10H2,1-3H3,(H2,19,20,23)/t11-/m0/s1
InChIKeyGWPSRFUJZJTFDI-NSHDSACASA-N
XLogP2.20
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea with MolForge

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Related Compounds

2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 53561071
N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 71915621
N-isopropyl-4-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinecarboxamide
CID 72866493
N-({1-[(1-isopropyl-1H-imidazol-2-yl)methyl]piperidin-4-yl}methyl)-2,2-dimethylpropanamide
CID 56742435
N-isopropyl-4-((2-methyl-1H-imidazol-1-yl)methyl)piperidine-1-carboxamide
CID 71781144
4-(2-(1H-imidazol-1-yl)ethyl)-N-cyclohexylpiperazine-1-carboxamide
CID 71788601
N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 45830125
N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-methylpiperidine-1-carboxamide
CID 53595552
2,2-difluoro-N-({1-[(1-propyl-1H-imidazol-2-yl)methyl]piperidin-3-yl}methyl)acetamide
CID 56753573
1-(4-Imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea
CID 56784395
3-[2-[1-(Difluoromethyl)imidazol-2-yl]ethyl]-1-methyl-1-(2-methylbutyl)urea
CID 56787672
1-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]imidazole-2-carboxamide
CID 71858528

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea (CID 164635369) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea is CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1nccn1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea?
The InChIKey is GWPSRFUJZJTFDI-NSHDSACASA-N. The full InChI is InChI=1S/C15H25F2N5O/c1-15(2)5-4-7-21(3)11(15)9-19-14(23)20-10-12-18-6-8-22(12)13(16)17/h6,8,11,13H,4-5,7,9-10H2,1-3H3,(H2,19,20,23)/t11-/m0/s1.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea has a molecular weight of 329.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 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-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea is sourced from PubChem (CID 164635369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).