5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole

C9H10N2 — CID 145305377

IUPAC5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole
SMILESCC1C2C=c3nc[nH]c3=CC12
InChIInChI=1S/C9H10N2/c1-5-6-2-8-9(3-7(5)6)11-4-10-8/h2-7H,1H3,(H,10,11)
InChIKeyACQFLRLLNAJTDK-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.13
Rot. Bonds

About 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole

5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole (PubChem CID 145305377) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole.

Molecular Properties

Compound Name5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole
PubChem CID145305377
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole
SMILESCC1C2C=c3nc[nH]c3=CC12
InChIInChI=1S/C9H10N2/c1-5-6-2-8-9(3-7(5)6)11-4-10-8/h2-7H,1H3,(H,10,11)
InChIKeyACQFLRLLNAJTDK-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole?
The IUPAC name of 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole (CID 145305377) is 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole.
What is the SMILES notation for 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole?
The canonical SMILES for 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole is CC1C2C=c3nc[nH]c3=CC12.
What is the InChIKey of 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole?
The InChIKey is ACQFLRLLNAJTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-5-6-2-8-9(3-7(5)6)11-4-10-8/h2-7H,1H3,(H,10,11).
What are the key properties of 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole?
5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole has a molecular weight of 146.19 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole is sourced from PubChem (CID 145305377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).