2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole

C14H13N3 — CID 18426038

IUPAC2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole
SMILESc1c[nH]c(-c2ccc(Cc3ncc[nH]3)cc2)c1
InChIInChI=1S/C14H13N3/c1-2-13(15-7-1)12-5-3-11(4-6-12)10-14-16-8-9-17-14/h1-9,15H,10H2,(H,16,17)
InChIKeySWQBMIMADZQHKL-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.00
Rot. Bonds3

About 2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole

2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole (PubChem CID 18426038) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole
PubChem CID18426038
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole
SMILESc1c[nH]c(-c2ccc(Cc3ncc[nH]3)cc2)c1
InChIInChI=1S/C14H13N3/c1-2-13(15-7-1)12-5-3-11(4-6-12)10-14-16-8-9-17-14/h1-9,15H,10H2,(H,16,17)
InChIKeySWQBMIMADZQHKL-UHFFFAOYSA-N
XLogP3.00
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole?
The IUPAC name of 2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole (CID 18426038) is 2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole.
What is the SMILES notation for 2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole?
The canonical SMILES for 2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole is c1c[nH]c(-c2ccc(Cc3ncc[nH]3)cc2)c1.
What is the InChIKey of 2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole?
The InChIKey is SWQBMIMADZQHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-13(15-7-1)12-5-3-11(4-6-12)10-14-16-8-9-17-14/h1-9,15H,10H2,(H,16,17).
What are the key properties of 2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole?
2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole has a molecular weight of 223.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole is sourced from PubChem (CID 18426038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).