1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole

C16H21N3O — CID 114704020

IUPAC1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
SMILESCC(C)Oc1ccc(-n2cncc2C2CCCN2)cc1
InChIInChI=1S/C16H21N3O/c1-12(2)20-14-7-5-13(6-8-14)19-11-17-10-16(19)15-4-3-9-18-15/h5-8,10-12,15,18H,3-4,9H2,1-2H3
InChIKeyFQIGZUYDTGRVGV-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.08
Rot. Bonds4

About 1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole

1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole (PubChem CID 114704020) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
PubChem CID114704020
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
SMILESCC(C)Oc1ccc(-n2cncc2C2CCCN2)cc1
InChIInChI=1S/C16H21N3O/c1-12(2)20-14-7-5-13(6-8-14)19-11-17-10-16(19)15-4-3-9-18-15/h5-8,10-12,15,18H,3-4,9H2,1-2H3
InChIKeyFQIGZUYDTGRVGV-UHFFFAOYSA-N
XLogP3.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole
CID 114703835
3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine
CID 114704028
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
1-(4-methylsulfanylphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941741
1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114705473
1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702494
[4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol
CID 104943673
2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine
CID 114717817
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885
2-methoxy-5-(5-piperidin-2-ylimidazol-1-yl)pyridine
CID 114702661
3-(5-pyrrolidin-2-ylimidazol-1-yl)pyridine
CID 114703701

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole (CID 114704020) is 1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole is CC(C)Oc1ccc(-n2cncc2C2CCCN2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole?
The InChIKey is FQIGZUYDTGRVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)20-14-7-5-13(6-8-14)19-11-17-10-16(19)15-4-3-9-18-15/h5-8,10-12,15,18H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole?
1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole has a molecular weight of 271.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 114704020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).