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

C9H12N2 — CID 145305376

IUPAC5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen
SMILESCC1C2C=c3nc[nH]c3=CC12.[H][H]
InChIInChI=1S/C9H10N2.H2/c1-5-6-2-8-9(3-7(5)6)11-4-10-8;/h2-7H,1H3,(H,10,11);1H
InChIKeyURVCQCHJXUODKB-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.11
Rot. Bonds

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

5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen (PubChem CID 145305376) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen.

Molecular Properties

Compound Name5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen
PubChem CID145305376
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen
SMILESCC1C2C=c3nc[nH]c3=CC12.[H][H]
InChIInChI=1S/C9H10N2.H2/c1-5-6-2-8-9(3-7(5)6)11-4-10-8;/h2-7H,1H3,(H,10,11);1H
InChIKeyURVCQCHJXUODKB-UHFFFAOYSA-N
XLogP0.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.11
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;molecular hydrogen?
The IUPAC name of 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen (CID 145305376) is 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen.
What is the SMILES notation for 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen?
The canonical SMILES for 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen is CC1C2C=c3nc[nH]c3=CC12.[H][H].
What is the InChIKey of 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen?
The InChIKey is URVCQCHJXUODKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.H2/c1-5-6-2-8-9(3-7(5)6)11-4-10-8;/h2-7H,1H3,(H,10,11);1H.
What are the key properties of 5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen?
5-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen has a molecular weight of 148.21 g/mol, XLogP of 0.11, 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;molecular hydrogen is sourced from PubChem (CID 145305376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).