3-methylcycloocta[d]imidazole

C10H10N2 — CID 91175773

IUPAC3-methylcycloocta[d]imidazole
SMILESCn1cnc2c1C=CC=CC=C2
InChIInChI=1S/C10H10N2/c1-12-8-11-9-6-4-2-3-5-7-10(9)12/h2-8H,1H3
InChIKeyDLAOKEFTDOCTIJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.02
Rot. Bonds

About 3-methylcycloocta[d]imidazole

3-methylcycloocta[d]imidazole (PubChem CID 91175773) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-methylcycloocta[d]imidazole.

Molecular Properties

Compound Name3-methylcycloocta[d]imidazole
PubChem CID91175773
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name3-methylcycloocta[d]imidazole
SMILESCn1cnc2c1C=CC=CC=C2
InChIInChI=1S/C10H10N2/c1-12-8-11-9-6-4-2-3-5-7-10(9)12/h2-8H,1H3
InChIKeyDLAOKEFTDOCTIJ-UHFFFAOYSA-N
XLogP2.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylcycloocta[d]imidazole?
The IUPAC name of 3-methylcycloocta[d]imidazole (CID 91175773) is 3-methylcycloocta[d]imidazole.
What is the SMILES notation for 3-methylcycloocta[d]imidazole?
The canonical SMILES for 3-methylcycloocta[d]imidazole is Cn1cnc2c1C=CC=CC=C2.
What is the InChIKey of 3-methylcycloocta[d]imidazole?
The InChIKey is DLAOKEFTDOCTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-12-8-11-9-6-4-2-3-5-7-10(9)12/h2-8H,1H3.
What are the key properties of 3-methylcycloocta[d]imidazole?
3-methylcycloocta[d]imidazole has a molecular weight of 158.20 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcycloocta[d]imidazole is sourced from PubChem (CID 91175773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).