5-methyl-3,8a-dihydrocyclohepta[d]imidazole

C9H10N2 — CID 137427605

IUPAC5-methyl-3,8a-dihydrocyclohepta[d]imidazole
SMILESCC1=CC=CC2N=CNC2=C1
InChIInChI=1S/C9H10N2/c1-7-3-2-4-8-9(5-7)11-6-10-8/h2-6,8H,1H3,(H,10,11)
InChIKeySRBRJSQODGYZAJ-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.39
Rot. Bonds

About 5-methyl-3,8a-dihydrocyclohepta[d]imidazole

5-methyl-3,8a-dihydrocyclohepta[d]imidazole (PubChem CID 137427605) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-methyl-3,8a-dihydrocyclohepta[d]imidazole.

Molecular Properties

Compound Name5-methyl-3,8a-dihydrocyclohepta[d]imidazole
PubChem CID137427605
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name5-methyl-3,8a-dihydrocyclohepta[d]imidazole
SMILESCC1=CC=CC2N=CNC2=C1
InChIInChI=1S/C9H10N2/c1-7-3-2-4-8-9(5-7)11-6-10-8/h2-6,8H,1H3,(H,10,11)
InChIKeySRBRJSQODGYZAJ-UHFFFAOYSA-N
XLogP1.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Cyclohepta[d]pyrimidine
CID 45080488
6-methyl-3a,7a-dihydro-1H-benzimidazole
CID 70333893
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CID 89093625
8-Methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 90291949
5-Ethyl-1,5-dihydrocyclohepta[d]imidazole
CID 90804615
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
3,7-Dihydrocyclohepta[d]imidazole
CID 91179014
6-Cyclohepta-1,6-dien-1-yl-1,4-dihydropyrimidin-4-amine
CID 117792001
5-Methyl-1,5-dihydrocyclohepta[d]imidazole
CID 122463259
5,5-dimethyl-1H-cyclohepta[d]imidazole
CID 123139076
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819
N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide
CID 123963482

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,8a-dihydrocyclohepta[d]imidazole?
The IUPAC name of 5-methyl-3,8a-dihydrocyclohepta[d]imidazole (CID 137427605) is 5-methyl-3,8a-dihydrocyclohepta[d]imidazole.
What is the SMILES notation for 5-methyl-3,8a-dihydrocyclohepta[d]imidazole?
The canonical SMILES for 5-methyl-3,8a-dihydrocyclohepta[d]imidazole is CC1=CC=CC2N=CNC2=C1.
What is the InChIKey of 5-methyl-3,8a-dihydrocyclohepta[d]imidazole?
The InChIKey is SRBRJSQODGYZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-3-2-4-8-9(5-7)11-6-10-8/h2-6,8H,1H3,(H,10,11).
What are the key properties of 5-methyl-3,8a-dihydrocyclohepta[d]imidazole?
5-methyl-3,8a-dihydrocyclohepta[d]imidazole has a molecular weight of 146.19 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,8a-dihydrocyclohepta[d]imidazole is sourced from PubChem (CID 137427605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).