N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide

C12H11F2N3O2 — CID 81257132

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)n1ccnc1
InChIInChI=1S/C12H11F2N3O2/c13-11(14)19-10-4-2-1-3-9(10)7-16-12(18)17-6-5-15-8-17/h1-6,8,11H,7H2,(H,16,18)
InChIKeyVLBRDAUKAMNBLT-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.24
Rot. Bonds4

About N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide (PubChem CID 81257132) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide
PubChem CID81257132
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)n1ccnc1
InChIInChI=1S/C12H11F2N3O2/c13-11(14)19-10-4-2-1-3-9(10)7-16-12(18)17-6-5-15-8-17/h1-6,8,11H,7H2,(H,16,18)
InChIKeyVLBRDAUKAMNBLT-UHFFFAOYSA-N
XLogP2.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide
CID 114332839
N-[[2-(difluoromethoxy)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010883
N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 70650678
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111865265
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 30311436
N-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide
CID 122154861
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide
CID 107358541
N-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidine-1-carboxamide
CID 110895568
2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
CID 83109474
N-[[2-(difluoromethoxy)phenyl]methyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55665911
N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987896

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide (CID 81257132) is N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide is O=C(NCc1ccccc1OC(F)F)n1ccnc1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide?
The InChIKey is VLBRDAUKAMNBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c13-11(14)19-10-4-2-1-3-9(10)7-16-12(18)17-6-5-15-8-17/h1-6,8,11H,7H2,(H,16,18).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide has a molecular weight of 267.24 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide is sourced from PubChem (CID 81257132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).