1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole

C14H17N3 — CID 114703790

IUPAC1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
SMILESCc1ccccc1-n1cncc1C1CCCN1
InChIInChI=1S/C14H17N3/c1-11-5-2-3-7-13(11)17-10-15-9-14(17)12-6-4-8-16-12/h2-3,5,7,9-10,12,16H,4,6,8H2,1H3
InChIKeyWUWOFUKTKGNFIY-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.61
Rot. Bonds2

About 1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole

1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole (PubChem CID 114703790) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
PubChem CID114703790
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
SMILESCc1ccccc1-n1cncc1C1CCCN1
InChIInChI=1S/C14H17N3/c1-11-5-2-3-7-13(11)17-10-15-9-14(17)12-6-4-8-16-12/h2-3,5,7,9-10,12,16H,4,6,8H2,1H3
InChIKeyWUWOFUKTKGNFIY-UHFFFAOYSA-N
XLogP2.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941589
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
N,N-dimethyl-2-(5-piperidin-2-ylimidazol-1-yl)aniline
CID 106761198
4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole
CID 82473887
2-[3-(5-fluoro-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703289
1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703942
2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine
CID 114705681
3-(5-pyrrolidin-2-ylimidazol-1-yl)pyridine
CID 114703701
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
1-(4-methylsulfanylphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941741
1-(3-methylsulfanylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702733
2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706613

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole (CID 114703790) is 1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole is Cc1ccccc1-n1cncc1C1CCCN1.
What is the InChIKey of 1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole?
The InChIKey is WUWOFUKTKGNFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-5-2-3-7-13(11)17-10-15-9-14(17)12-6-4-8-16-12/h2-3,5,7,9-10,12,16H,4,6,8H2,1H3.
What are the key properties of 1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole?
1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole has a molecular weight of 227.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 114703790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).