1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole

C14H15F2N3O — CID 114703835

IUPAC1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole
SMILESFC(F)Oc1ccc(-n2cncc2C2CCCN2)cc1
InChIInChI=1S/C14H15F2N3O/c15-14(16)20-11-5-3-10(4-6-11)19-9-17-8-13(19)12-2-1-7-18-12/h3-6,8-9,12,14,18H,1-2,7H2
InChIKeyNDMTXJNXGXQIKR-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.90
Rot. Bonds4

About 1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole

1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole (PubChem CID 114703835) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole
PubChem CID114703835
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole
SMILESFC(F)Oc1ccc(-n2cncc2C2CCCN2)cc1
InChIInChI=1S/C14H15F2N3O/c15-14(16)20-11-5-3-10(4-6-11)19-9-17-8-13(19)12-2-1-7-18-12/h3-6,8-9,12,14,18H,1-2,7H2
InChIKeyNDMTXJNXGXQIKR-UHFFFAOYSA-N
XLogP2.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114704020
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
1-(4-methylsulfanylphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941741
[4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol
CID 104943673
1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702494
3-(5-pyrrolidin-2-ylimidazol-1-yl)pyridine
CID 114703701
1-(4-bromo-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943237
5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole
CID 114703043
1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114705473
2-methoxy-5-(5-piperidin-2-ylimidazol-1-yl)pyridine
CID 114702661
1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941461

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole (CID 114703835) is 1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole is FC(F)Oc1ccc(-n2cncc2C2CCCN2)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole?
The InChIKey is NDMTXJNXGXQIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-14(16)20-11-5-3-10(4-6-11)19-9-17-8-13(19)12-2-1-7-18-12/h3-6,8-9,12,14,18H,1-2,7H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole?
1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole has a molecular weight of 279.29 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 114703835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).