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

C13H15N3 — CID 104942009

IUPAC1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESc1ccc(-n2cncc2[C@@H]2CCCN2)cc1
InChIInChI=1S/C13H15N3/c1-2-5-11(6-3-1)16-10-14-9-13(16)12-7-4-8-15-12/h1-3,5-6,9-10,12,15H,4,7-8H2/t12-/m0/s1
InChIKeyIHUKNUDCJXGEOV-LBPRGKRZSA-N
MW213.28 g/mol
LogP2.30
Rot. Bonds2

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

1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 104942009) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID104942009
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESc1ccc(-n2cncc2[C@@H]2CCCN2)cc1
InChIInChI=1S/C13H15N3/c1-2-5-11(6-3-1)16-10-14-9-13(16)12-7-4-8-15-12/h1-3,5-6,9-10,12,15H,4,7-8H2/t12-/m0/s1
InChIKeyIHUKNUDCJXGEOV-LBPRGKRZSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-pyrrolidin-2-ylimidazol-1-yl)pyridine
CID 114703701
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole
CID 114703043
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-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703790
1-(3-methylsulfanylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702733
1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702494
1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole
CID 114703835
1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114704020
1-(2-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941589
N,N-dimethyl-2-(5-piperidin-2-ylimidazol-1-yl)aniline
CID 106761198

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole (CID 104942009) is 1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole is c1ccc(-n2cncc2[C@@H]2CCCN2)cc1.
What is the InChIKey of 1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is IHUKNUDCJXGEOV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-5-11(6-3-1)16-10-14-9-13(16)12-7-4-8-15-12/h1-3,5-6,9-10,12,15H,4,7-8H2/t12-/m0/s1.
What are the key properties of 1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole?
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 213.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 104942009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).