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

C9H10N2 — CID 142389766

IUPAC2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole
SMILESCc1nc2c([nH]1)=CC1CC1C=2
InChIInChI=1S/C9H10N2/c1-5-10-8-3-6-2-7(6)4-9(8)11-5/h3-4,6-7H,2H2,1H3,(H,10,11)
InChIKeyKPUQCXFXUJVJAH-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.07
Rot. Bonds

About 2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole

2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole (PubChem CID 142389766) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole.

Molecular Properties

Compound Name2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole
PubChem CID142389766
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole
SMILESCc1nc2c([nH]1)=CC1CC1C=2
InChIInChI=1S/C9H10N2/c1-5-10-8-3-6-2-7(6)4-9(8)11-5/h3-4,6-7H,2H2,1H3,(H,10,11)
InChIKeyKPUQCXFXUJVJAH-UHFFFAOYSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole
CID 123327195
6-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 144315828
4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 145497300
2-methyl-5,6-dihydro-1H-benzimidazole
CID 68273979
2,6-dimethyl-5,6-dihydro-1H-benzimidazole
CID 89510027
2-propan-2-yl-5,6-dihydro-1H-benzimidazole
CID 129018981
2,6,6-Trimethyl-1,5-dihydrobenzimidazole
CID 138749559
2-ethyl-5,6-dihydro-1H-benzimidazole
CID 141790727
Ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen
CID 142389765
Ethane;2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen
CID 142389786
ethane;2-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen
CID 143489798
ethane;2-methyl-5,6-dihydro-1H-benzimidazole
CID 143929296

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole?
The IUPAC name of 2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole (CID 142389766) is 2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole.
What is the SMILES notation for 2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole?
The canonical SMILES for 2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole is Cc1nc2c([nH]1)=CC1CC1C=2.
What is the InChIKey of 2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole?
The InChIKey is KPUQCXFXUJVJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-5-10-8-3-6-2-7(6)4-9(8)11-5/h3-4,6-7H,2H2,1H3,(H,10,11).
What are the key properties of 2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole?
2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole has a molecular weight of 146.19 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole is sourced from PubChem (CID 142389766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).