2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole

C9H12N2 — CID 143106785

IUPAC2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole
SMILESCC1NC2=C(C=CCC=C2)N1
InChIInChI=1S/C9H12N2/c1-7-10-8-5-3-2-4-6-9(8)11-7/h3-7,10-11H,2H2,1H3
InChIKeyGROIJKKSUZUFCV-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.25
Rot. Bonds

About 2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole

2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole (PubChem CID 143106785) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole.

Molecular Properties

Compound Name2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole
PubChem CID143106785
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole
SMILESCC1NC2=C(C=CCC=C2)N1
InChIInChI=1S/C9H12N2/c1-7-10-8-5-3-2-4-6-9(8)11-7/h3-7,10-11H,2H2,1H3
InChIKeyGROIJKKSUZUFCV-UHFFFAOYSA-N
XLogP1.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole?
The IUPAC name of 2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole (CID 143106785) is 2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole.
What is the SMILES notation for 2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole?
The canonical SMILES for 2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole is CC1NC2=C(C=CCC=C2)N1.
What is the InChIKey of 2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole?
The InChIKey is GROIJKKSUZUFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-10-8-5-3-2-4-6-9(8)11-7/h3-7,10-11H,2H2,1H3.
What are the key properties of 2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole?
2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole has a molecular weight of 148.21 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole is sourced from PubChem (CID 143106785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).