1H-imidazole;1H-indene;1H-pyrrole

C16H17N3 — CID 158648814

IUPAC1H-imidazole;1H-indene;1H-pyrrole
SMILESC1=Cc2ccccc2C1.c1c[nH]cn1.c1cc[nH]c1
InChIInChI=1S/C9H8.C4H5N.C3H4N2/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-6H,7H2;1-5H;1-3H,(H,4,5)
InChIKeyIBHJBOAXOZOLPW-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.68
Rot. Bonds

About 1H-imidazole;1H-indene;1H-pyrrole

1H-imidazole;1H-indene;1H-pyrrole (PubChem CID 158648814) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1H-imidazole;1H-indene;1H-pyrrole.

Molecular Properties

Compound Name1H-imidazole;1H-indene;1H-pyrrole
PubChem CID158648814
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1H-imidazole;1H-indene;1H-pyrrole
SMILESC1=Cc2ccccc2C1.c1c[nH]cn1.c1cc[nH]c1
InChIInChI=1S/C9H8.C4H5N.C3H4N2/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-6H,7H2;1-5H;1-3H,(H,4,5)
InChIKeyIBHJBOAXOZOLPW-UHFFFAOYSA-N
XLogP3.68
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1H-imidazole;1H-indene;1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1H-indene;1H-pyrrole?
The IUPAC name of 1H-imidazole;1H-indene;1H-pyrrole (CID 158648814) is 1H-imidazole;1H-indene;1H-pyrrole.
What is the SMILES notation for 1H-imidazole;1H-indene;1H-pyrrole?
The canonical SMILES for 1H-imidazole;1H-indene;1H-pyrrole is C1=Cc2ccccc2C1.c1c[nH]cn1.c1cc[nH]c1.
What is the InChIKey of 1H-imidazole;1H-indene;1H-pyrrole?
The InChIKey is IBHJBOAXOZOLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.C4H5N.C3H4N2/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-6H,7H2;1-5H;1-3H,(H,4,5).
What are the key properties of 1H-imidazole;1H-indene;1H-pyrrole?
1H-imidazole;1H-indene;1H-pyrrole has a molecular weight of 251.33 g/mol, XLogP of 3.68, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1H-indene;1H-pyrrole is sourced from PubChem (CID 158648814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).