1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

C16H21N3 — CID 104943849

IUPAC1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCC(Cn1cncc1[C@@H]1CCCN1)c1ccccc1
InChIInChI=1S/C16H21N3/c1-13(14-6-3-2-4-7-14)11-19-12-17-10-16(19)15-8-5-9-18-15/h2-4,6-7,10,12-13,15,18H,5,8-9,11H2,1H3/t13?,15-/m0/s1
InChIKeyKBFWJNSRECIZQX-WUJWULDRSA-N
MW255.37 g/mol
LogP3.11
Rot. Bonds4

About 1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 104943849) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID104943849
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCC(Cn1cncc1[C@@H]1CCCN1)c1ccccc1
InChIInChI=1S/C16H21N3/c1-13(14-6-3-2-4-7-14)11-19-12-17-10-16(19)15-8-5-9-18-15/h2-4,6-7,10,12-13,15,18H,5,8-9,11H2,1H3/t13?,15-/m0/s1
InChIKeyKBFWJNSRECIZQX-WUJWULDRSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943987
1-(2-methyl-3-methylsulfanylpropyl)-5-pyrrolidin-2-ylimidazole
CID 114706051
1-(2-methyl-3-methylsulfanylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943113
1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole
CID 114707453
2-[3-(2-methylbutyl)imidazol-4-yl]piperidine
CID 114705654
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943065
2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705914
1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943720
1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942995

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (CID 104943849) is 1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is CC(Cn1cncc1[C@@H]1CCCN1)c1ccccc1.
What is the InChIKey of 1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is KBFWJNSRECIZQX-WUJWULDRSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(14-6-3-2-4-7-14)11-19-12-17-10-16(19)15-8-5-9-18-15/h2-4,6-7,10,12-13,15,18H,5,8-9,11H2,1H3/t13?,15-/m0/s1.
What are the key properties of 1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 255.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 104943849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).