1H-imidazole;2H-isoindole

C11H11N3 — CID 172782455

IUPAC1H-imidazole;2H-isoindole
SMILESc1c[nH]cn1.c1ccc2c[nH]cc2c1
InChIInChI=1S/C8H7N.C3H4N2/c1-2-4-8-6-9-5-7(8)3-1;1-2-5-3-4-1/h1-6,9H;1-3H,(H,4,5)
InChIKeyOLBRPYZJDTWIML-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.58
Rot. Bonds

About 1H-imidazole;2H-isoindole

1H-imidazole;2H-isoindole (PubChem CID 172782455) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1H-imidazole;2H-isoindole.

Molecular Properties

Compound Name1H-imidazole;2H-isoindole
PubChem CID172782455
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name1H-imidazole;2H-isoindole
SMILESc1c[nH]cn1.c1ccc2c[nH]cc2c1
InChIInChI=1S/C8H7N.C3H4N2/c1-2-4-8-6-9-5-7(8)3-1;1-2-5-3-4-1/h1-6,9H;1-3H,(H,4,5)
InChIKeyOLBRPYZJDTWIML-UHFFFAOYSA-N
XLogP2.58
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1H-imidazole;2H-isoindole with MolForge

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

Launch Full Analysis

Related Compounds

1H-imidazole;naphthalene
CID 66658955
1H-imidazole;isoquinoline
CID 67481109
bis(1H-imidazole);quinoline
CID 174662508
benzene-1,2-diamine;1H-imidazole
CID 174792422
benzene;1H-imidazole;hydrochloride
CID 162098896
CID 70626960
CID 70626960
chloranium 1H-imidazole
CID 172826260
CID 175227621
CID 175227621
1H-imidazole;tetrahydrochloride
CID 141350371
cerium(4+);1H-imidazole
CID 175891649
1H-imidazole;nickel(2+);dichloride
CID 175789081
1H-imidazole;dihydrate
CID 67700139

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;2H-isoindole?
The IUPAC name of 1H-imidazole;2H-isoindole (CID 172782455) is 1H-imidazole;2H-isoindole.
What is the SMILES notation for 1H-imidazole;2H-isoindole?
The canonical SMILES for 1H-imidazole;2H-isoindole is c1c[nH]cn1.c1ccc2c[nH]cc2c1.
What is the InChIKey of 1H-imidazole;2H-isoindole?
The InChIKey is OLBRPYZJDTWIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C3H4N2/c1-2-4-8-6-9-5-7(8)3-1;1-2-5-3-4-1/h1-6,9H;1-3H,(H,4,5).
What are the key properties of 1H-imidazole;2H-isoindole?
1H-imidazole;2H-isoindole has a molecular weight of 185.23 g/mol, XLogP of 2.58, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;2H-isoindole is sourced from PubChem (CID 172782455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).