5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole

C15H17F2N3O — CID 61366282

IUPAC5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
SMILESFC(F)Oc1cccc(-c2cnc(CC3CCCN3)[nH]2)c1
InChIInChI=1S/C15H17F2N3O/c16-15(17)21-12-5-1-3-10(7-12)13-9-19-14(20-13)8-11-4-2-6-18-11/h1,3,5,7,9,11,15,18H,2,4,6,8H2,(H,19,20)
InChIKeySTRMAHWWGYUURB-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.97
Rot. Bonds5

About 5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole

5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole (PubChem CID 61366282) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
PubChem CID61366282
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
SMILESFC(F)Oc1cccc(-c2cnc(CC3CCCN3)[nH]2)c1
InChIInChI=1S/C15H17F2N3O/c16-15(17)21-12-5-1-3-10(7-12)13-9-19-14(20-13)8-11-4-2-6-18-11/h1,3,5,7,9,11,15,18H,2,4,6,8H2,(H,19,20)
InChIKeySTRMAHWWGYUURB-UHFFFAOYSA-N
XLogP2.97
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 114083168
5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366673
6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole
CID 116877618
5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61365687
5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61363930
4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61030336
5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61364707
3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine
CID 116881165
1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62476310
6-[3-(difluoromethoxy)phenyl]-1H-pyrimidine-2-thione
CID 4773801
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine
CID 116877651

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole (CID 61366282) is 5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole is FC(F)Oc1cccc(-c2cnc(CC3CCCN3)[nH]2)c1.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The InChIKey is STRMAHWWGYUURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c16-15(17)21-12-5-1-3-10(7-12)13-9-19-14(20-13)8-11-4-2-6-18-11/h1,3,5,7,9,11,15,18H,2,4,6,8H2,(H,19,20).
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole has a molecular weight of 293.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole is sourced from PubChem (CID 61366282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).