2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole

C14H13N3 — CID 142780374

IUPAC2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole
SMILESc1ccc(Cc2ncc(-c3cc[nH]c3)[nH]2)cc1
InChIInChI=1S/C14H13N3/c1-2-4-11(5-3-1)8-14-16-10-13(17-14)12-6-7-15-9-12/h1-7,9-10,15H,8H2,(H,16,17)
InChIKeyFMMKTGYGCAFJFO-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.00
Rot. Bonds3

About 2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole

2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole (PubChem CID 142780374) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole.

Molecular Properties

Compound Name2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole
PubChem CID142780374
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole
SMILESc1ccc(Cc2ncc(-c3cc[nH]c3)[nH]2)cc1
InChIInChI=1S/C14H13N3/c1-2-4-11(5-3-1)8-14-16-10-13(17-14)12-6-7-15-9-12/h1-7,9-10,15H,8H2,(H,16,17)
InChIKeyFMMKTGYGCAFJFO-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-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole?
The IUPAC name of 2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole (CID 142780374) is 2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole.
What is the SMILES notation for 2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole?
The canonical SMILES for 2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole is c1ccc(Cc2ncc(-c3cc[nH]c3)[nH]2)cc1.
What is the InChIKey of 2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole?
The InChIKey is FMMKTGYGCAFJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-4-11(5-3-1)8-14-16-10-13(17-14)12-6-7-15-9-12/h1-7,9-10,15H,8H2,(H,16,17).
What are the key properties of 2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole?
2-benzyl-5-(1H-pyrrol-3-yl)-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-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole is sourced from PubChem (CID 142780374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).