1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole

C16H21N3 — CID 114702494

IUPAC1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole
SMILESCCCc1ccc(-n2cncc2C2CCCN2)cc1
InChIInChI=1S/C16H21N3/c1-2-4-13-6-8-14(9-7-13)19-12-17-11-16(19)15-5-3-10-18-15/h6-9,11-12,15,18H,2-5,10H2,1H3
InChIKeyDTWXGHWMQTVCQY-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.25
Rot. Bonds4

About 1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole

1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole (PubChem CID 114702494) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole
PubChem CID114702494
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole
SMILESCCCc1ccc(-n2cncc2C2CCCN2)cc1
InChIInChI=1S/C16H21N3/c1-2-4-13-6-8-14(9-7-13)19-12-17-11-16(19)15-5-3-10-18-15/h6-9,11-12,15,18H,2-5,10H2,1H3
InChIKeyDTWXGHWMQTVCQY-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole (CID 114702494) is 1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole is CCCc1ccc(-n2cncc2C2CCCN2)cc1.
What is the InChIKey of 1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole?
The InChIKey is DTWXGHWMQTVCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-4-13-6-8-14(9-7-13)19-12-17-11-16(19)15-5-3-10-18-15/h6-9,11-12,15,18H,2-5,10H2,1H3.
What are the key properties of 1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole?
1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole has a molecular weight of 255.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 114702494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).