4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine

C13H16N4 — CID 104942141

IUPAC4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine
SMILESc1cc(Cn2cncc2[C@@H]2CCCN2)ccn1
InChIInChI=1S/C13H16N4/c1-2-12(16-5-1)13-8-15-10-17(13)9-11-3-6-14-7-4-11/h3-4,6-8,10,12,16H,1-2,5,9H2/t12-/m0/s1
InChIKeyJUJGYUWXVNHCDP-LBPRGKRZSA-N
MW228.30 g/mol
LogP1.75
Rot. Bonds3

About 4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine

4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine (PubChem CID 104942141) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine
PubChem CID104942141
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine
SMILESc1cc(Cn2cncc2[C@@H]2CCCN2)ccn1
InChIInChI=1S/C13H16N4/c1-2-12(16-5-1)13-8-15-10-17(13)9-11-3-6-14-7-4-11/h3-4,6-8,10,12,16H,1-2,5,9H2/t12-/m0/s1
InChIKeyJUJGYUWXVNHCDP-LBPRGKRZSA-N
XLogP1.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941677
1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114702895
5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole
CID 106422527
5-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,2-oxazole
CID 106422518
4-[(5-piperidin-4-ylimidazol-1-yl)methyl]pyridine
CID 114703940
2-methoxy-4-[(5-piperidin-2-ylimidazol-1-yl)methyl]pyridine
CID 114705840
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine
CID 114705336
1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114704435
1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942995
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
1-[(3-nitrophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942894

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine?
The IUPAC name of 4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine (CID 104942141) is 4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine is c1cc(Cn2cncc2[C@@H]2CCCN2)ccn1.
What is the InChIKey of 4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine?
The InChIKey is JUJGYUWXVNHCDP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-12(16-5-1)13-8-15-10-17(13)9-11-3-6-14-7-4-11/h3-4,6-8,10,12,16H,1-2,5,9H2/t12-/m0/s1.
What are the key properties of 4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine?
4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine has a molecular weight of 228.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 104942141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).