5-(2-pyrrol-1-ylethyl)-1H-imidazole

C9H11N3 — CID 65232089

IUPAC5-(2-pyrrol-1-ylethyl)-1H-imidazole
SMILESc1ccn(CCc2cnc[nH]2)c1
InChIInChI=1S/C9H11N3/c1-2-5-12(4-1)6-3-9-7-10-8-11-9/h1-2,4-5,7-8H,3,6H2,(H,10,11)
InChIKeyDOORCANFCPSFJQ-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.45
Rot. Bonds3

About 5-(2-pyrrol-1-ylethyl)-1H-imidazole

5-(2-pyrrol-1-ylethyl)-1H-imidazole (PubChem CID 65232089) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 5-(2-pyrrol-1-ylethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-pyrrol-1-ylethyl)-1H-imidazole
PubChem CID65232089
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name5-(2-pyrrol-1-ylethyl)-1H-imidazole
SMILESc1ccn(CCc2cnc[nH]2)c1
InChIInChI=1S/C9H11N3/c1-2-5-12(4-1)6-3-9-7-10-8-11-9/h1-2,4-5,7-8H,3,6H2,(H,10,11)
InChIKeyDOORCANFCPSFJQ-UHFFFAOYSA-N
XLogP1.45
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrol-1-ylethyl)-1H-imidazole?
The IUPAC name of 5-(2-pyrrol-1-ylethyl)-1H-imidazole (CID 65232089) is 5-(2-pyrrol-1-ylethyl)-1H-imidazole.
What is the SMILES notation for 5-(2-pyrrol-1-ylethyl)-1H-imidazole?
The canonical SMILES for 5-(2-pyrrol-1-ylethyl)-1H-imidazole is c1ccn(CCc2cnc[nH]2)c1.
What is the InChIKey of 5-(2-pyrrol-1-ylethyl)-1H-imidazole?
The InChIKey is DOORCANFCPSFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-5-12(4-1)6-3-9-7-10-8-11-9/h1-2,4-5,7-8H,3,6H2,(H,10,11).
What are the key properties of 5-(2-pyrrol-1-ylethyl)-1H-imidazole?
5-(2-pyrrol-1-ylethyl)-1H-imidazole has a molecular weight of 161.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrol-1-ylethyl)-1H-imidazole is sourced from PubChem (CID 65232089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).