2-(pyrrol-1-ylmethyl)-1H-imidazole

C8H9N3 — CID 64530557

IUPAC2-(pyrrol-1-ylmethyl)-1H-imidazole
SMILESc1ccn(Cc2ncc[nH]2)c1
InChIInChI=1S/C8H9N3/c1-2-6-11(5-1)7-8-9-3-4-10-8/h1-6H,7H2,(H,9,10)
InChIKeyIDKWUPPMIZSCFE-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.26
Rot. Bonds2

About 2-(pyrrol-1-ylmethyl)-1H-imidazole

2-(pyrrol-1-ylmethyl)-1H-imidazole (PubChem CID 64530557) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(pyrrol-1-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(pyrrol-1-ylmethyl)-1H-imidazole
PubChem CID64530557
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-(pyrrol-1-ylmethyl)-1H-imidazole
SMILESc1ccn(Cc2ncc[nH]2)c1
InChIInChI=1S/C8H9N3/c1-2-6-11(5-1)7-8-9-3-4-10-8/h1-6H,7H2,(H,9,10)
InChIKeyIDKWUPPMIZSCFE-UHFFFAOYSA-N
XLogP1.26
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrol-1-ylmethyl)-1H-imidazole?
The IUPAC name of 2-(pyrrol-1-ylmethyl)-1H-imidazole (CID 64530557) is 2-(pyrrol-1-ylmethyl)-1H-imidazole.
What is the SMILES notation for 2-(pyrrol-1-ylmethyl)-1H-imidazole?
The canonical SMILES for 2-(pyrrol-1-ylmethyl)-1H-imidazole is c1ccn(Cc2ncc[nH]2)c1.
What is the InChIKey of 2-(pyrrol-1-ylmethyl)-1H-imidazole?
The InChIKey is IDKWUPPMIZSCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-2-6-11(5-1)7-8-9-3-4-10-8/h1-6H,7H2,(H,9,10).
What are the key properties of 2-(pyrrol-1-ylmethyl)-1H-imidazole?
2-(pyrrol-1-ylmethyl)-1H-imidazole has a molecular weight of 147.18 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrol-1-ylmethyl)-1H-imidazole is sourced from PubChem (CID 64530557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).