5-methyl-1,5-dihydrocyclohepta[d]imidazole

C9H10N2 — CID 122463259

IUPAC5-methyl-1,5-dihydrocyclohepta[d]imidazole
SMILESCC1C=CC=c2[nH]cnc2=C1
InChIInChI=1S/C9H10N2/c1-7-3-2-4-8-9(5-7)11-6-10-8/h2-7H,1H3,(H,10,11)
InChIKeySDADVYDRJRKLKY-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.18
Rot. Bonds

About 5-methyl-1,5-dihydrocyclohepta[d]imidazole

5-methyl-1,5-dihydrocyclohepta[d]imidazole (PubChem CID 122463259) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-methyl-1,5-dihydrocyclohepta[d]imidazole.

Molecular Properties

Compound Name5-methyl-1,5-dihydrocyclohepta[d]imidazole
PubChem CID122463259
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name5-methyl-1,5-dihydrocyclohepta[d]imidazole
SMILESCC1C=CC=c2[nH]cnc2=C1
InChIInChI=1S/C9H10N2/c1-7-3-2-4-8-9(5-7)11-6-10-8/h2-7H,1H3,(H,10,11)
InChIKeySDADVYDRJRKLKY-UHFFFAOYSA-N
XLogP0.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,5-dihydrocyclohepta[d]imidazole?
The IUPAC name of 5-methyl-1,5-dihydrocyclohepta[d]imidazole (CID 122463259) is 5-methyl-1,5-dihydrocyclohepta[d]imidazole.
What is the SMILES notation for 5-methyl-1,5-dihydrocyclohepta[d]imidazole?
The canonical SMILES for 5-methyl-1,5-dihydrocyclohepta[d]imidazole is CC1C=CC=c2[nH]cnc2=C1.
What is the InChIKey of 5-methyl-1,5-dihydrocyclohepta[d]imidazole?
The InChIKey is SDADVYDRJRKLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-3-2-4-8-9(5-7)11-6-10-8/h2-7H,1H3,(H,10,11).
What are the key properties of 5-methyl-1,5-dihydrocyclohepta[d]imidazole?
5-methyl-1,5-dihydrocyclohepta[d]imidazole has a molecular weight of 146.19 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,5-dihydrocyclohepta[d]imidazole is sourced from PubChem (CID 122463259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).