2-[(1-phenylpyrrol-2-yl)methyl]-1H-imidazole

C14H13N3 — CID 70528937

IUPAC2-[(1-phenylpyrrol-2-yl)methyl]-1H-imidazole
SMILESc1ccc(-n2cccc2Cc2ncc[nH]2)cc1
InChIInChI=1S/C14H13N3/c1-2-5-12(6-3-1)17-10-4-7-13(17)11-14-15-8-9-16-14/h1-10H,11H2,(H,15,16)
InChIKeyYQCRWEXKBSVVEP-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.79
Rot. Bonds3

About 2-[(1-phenylpyrrol-2-yl)methyl]-1H-imidazole

2-[(1-phenylpyrrol-2-yl)methyl]-1H-imidazole (PubChem CID 70528937) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(1-phenylpyrrol-2-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(1-phenylpyrrol-2-yl)methyl]-1H-imidazole
PubChem CID70528937
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-[(1-phenylpyrrol-2-yl)methyl]-1H-imidazole
SMILESc1ccc(-n2cccc2Cc2ncc[nH]2)cc1
InChIInChI=1S/C14H13N3/c1-2-5-12(6-3-1)17-10-4-7-13(17)11-14-15-8-9-16-14/h1-10H,11H2,(H,15,16)
InChIKeyYQCRWEXKBSVVEP-UHFFFAOYSA-N
XLogP2.79
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-phenylpyrrol-2-yl)-1H-imidazole
CID 91401668
2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole
CID 170198207
acetonitrile;2-benzyl-1H-imidazole
CID 23033706
2-benzyl-1H-imidazole;methanedithioic acid
CID 175933096
2-benzyl-1H-imidazole;iodic acid
CID 158114999
N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 78922115
2-(2-phenylethyl)-1H-imidazole;hydrochloride
CID 67183879
3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine
CID 172839136
3-(1H-imidazol-2-ylmethoxymethyl)-1-phenyl-1,2,4-triazole
CID 75446579
N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline
CID 6603723
2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole
CID 18426038
2-benzyl-1H-imidazole;ethenyl(diphenyl)borane
CID 67927097

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpyrrol-2-yl)methyl]-1H-imidazole?
The IUPAC name of 2-[(1-phenylpyrrol-2-yl)methyl]-1H-imidazole (CID 70528937) is 2-[(1-phenylpyrrol-2-yl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(1-phenylpyrrol-2-yl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(1-phenylpyrrol-2-yl)methyl]-1H-imidazole is c1ccc(-n2cccc2Cc2ncc[nH]2)cc1.
What is the InChIKey of 2-[(1-phenylpyrrol-2-yl)methyl]-1H-imidazole?
The InChIKey is YQCRWEXKBSVVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-5-12(6-3-1)17-10-4-7-13(17)11-14-15-8-9-16-14/h1-10H,11H2,(H,15,16).
What are the key properties of 2-[(1-phenylpyrrol-2-yl)methyl]-1H-imidazole?
2-[(1-phenylpyrrol-2-yl)methyl]-1H-imidazole has a molecular weight of 223.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpyrrol-2-yl)methyl]-1H-imidazole is sourced from PubChem (CID 70528937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).