3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline

C11H11F2N3O — CID 54976663

IUPAC3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline
SMILESFC(F)Oc1cccc(NCc2ncc[nH]2)c1
InChIInChI=1S/C11H11F2N3O/c12-11(13)17-9-3-1-2-8(6-9)16-7-10-14-4-5-15-10/h1-6,11,16H,7H2,(H,14,15)
InChIKeyUBVSUNONFVBVHZ-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.62
Rot. Bonds5

About 3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline

3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline (PubChem CID 54976663) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline
PubChem CID54976663
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline
SMILESFC(F)Oc1cccc(NCc2ncc[nH]2)c1
InChIInChI=1S/C11H11F2N3O/c12-11(13)17-9-3-1-2-8(6-9)16-7-10-14-4-5-15-10/h1-6,11,16H,7H2,(H,14,15)
InChIKeyUBVSUNONFVBVHZ-UHFFFAOYSA-N
XLogP2.62
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-3-(trifluoromethoxy)aniline
CID 54976604
2-[3-(1H-imidazol-2-ylmethylamino)phenoxy]acetonitrile
CID 54976517
3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416795
[3-(1H-imidazol-2-ylmethylamino)phenyl]urea
CID 54976227
3-(difluoromethoxy)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62743456
1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 54976408
tert-butyl N-[3-(1H-imidazol-2-ylmethylamino)phenyl]carbamate
CID 107239900
3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 55109711
3-[[3-(difluoromethoxy)anilino]methyl]phenol
CID 43698912
N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline
CID 43698745
N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide
CID 54976609
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline?
The IUPAC name of 3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline (CID 54976663) is 3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline.
What is the SMILES notation for 3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline?
The canonical SMILES for 3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline is FC(F)Oc1cccc(NCc2ncc[nH]2)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline?
The InChIKey is UBVSUNONFVBVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-11(13)17-9-3-1-2-8(6-9)16-7-10-14-4-5-15-10/h1-6,11,16H,7H2,(H,14,15).
What are the key properties of 3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline?
3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline has a molecular weight of 239.23 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline is sourced from PubChem (CID 54976663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).