1-[(3-phenylpyrrol-1-yl)methyl]imidazole

C14H13N3 — CID 141118913

IUPAC1-[(3-phenylpyrrol-1-yl)methyl]imidazole
SMILESc1ccc(-c2ccn(Cn3ccnc3)c2)cc1
InChIInChI=1S/C14H13N3/c1-2-4-13(5-3-1)14-6-8-16(10-14)12-17-9-7-15-11-17/h1-11H,12H2
InChIKeyFKQGAUYTQJDCBX-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.86
Rot. Bonds3

About 1-[(3-phenylpyrrol-1-yl)methyl]imidazole

1-[(3-phenylpyrrol-1-yl)methyl]imidazole (PubChem CID 141118913) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[(3-phenylpyrrol-1-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(3-phenylpyrrol-1-yl)methyl]imidazole
PubChem CID141118913
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name1-[(3-phenylpyrrol-1-yl)methyl]imidazole
SMILESc1ccc(-c2ccn(Cn3ccnc3)c2)cc1
InChIInChI=1S/C14H13N3/c1-2-4-13(5-3-1)14-6-8-16(10-14)12-17-9-7-15-11-17/h1-11H,12H2
InChIKeyFKQGAUYTQJDCBX-UHFFFAOYSA-N
XLogP2.86
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-imidazol-1-yl-1-phenyl-1-(4-phenylphenyl)ethanol
CID 13013640
2-imidazol-1-ylethyl-bis(4-phenylphenyl)silane
CID 173417558
1-(8-phenyloctyl)imidazole
CID 102394184
4-(imidazol-1-ylmethyl)-2-phenylpyrimidine
CID 131736320
2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine
CID 141397885
3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole
CID 174894195
imidazol-1-ylmethyl-methoxy-methyl-(4-phenylphenyl)silane
CID 70477499
1-[4-(2-phenylphenoxy)butyl]imidazole
CID 4998739
1-(2-diphenylphosphorylethyl)imidazole
CID 19358917
1-(2,2,2-triphenylethyl)imidazole
CID 53325760
1-[6-[4-(2-phenylethynyl)phenoxy]hexyl]imidazole
CID 101469157
1-[2-(2-fluorophenyl)-2-(4-phenylphenyl)ethyl]imidazole
CID 12831919

Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenylpyrrol-1-yl)methyl]imidazole?
The IUPAC name of 1-[(3-phenylpyrrol-1-yl)methyl]imidazole (CID 141118913) is 1-[(3-phenylpyrrol-1-yl)methyl]imidazole.
What is the SMILES notation for 1-[(3-phenylpyrrol-1-yl)methyl]imidazole?
The canonical SMILES for 1-[(3-phenylpyrrol-1-yl)methyl]imidazole is c1ccc(-c2ccn(Cn3ccnc3)c2)cc1.
What is the InChIKey of 1-[(3-phenylpyrrol-1-yl)methyl]imidazole?
The InChIKey is FKQGAUYTQJDCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-4-13(5-3-1)14-6-8-16(10-14)12-17-9-7-15-11-17/h1-11H,12H2.
What are the key properties of 1-[(3-phenylpyrrol-1-yl)methyl]imidazole?
1-[(3-phenylpyrrol-1-yl)methyl]imidazole has a molecular weight of 223.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenylpyrrol-1-yl)methyl]imidazole is sourced from PubChem (CID 141118913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).