3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole

C9H10N2 — CID 143453304

IUPAC3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole
SMILESCn1cnc2c1=CC1CC1C=2
InChIInChI=1S/C9H10N2/c1-11-5-10-8-3-6-2-7(6)4-9(8)11/h3-7H,2H2,1H3
InChIKeyRWJNFPVTOUXLEA-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.37
Rot. Bonds

About 3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole

3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole (PubChem CID 143453304) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole.

Molecular Properties

Compound Name3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole
PubChem CID143453304
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole
SMILESCn1cnc2c1=CC1CC1C=2
InChIInChI=1S/C9H10N2/c1-11-5-10-8-3-6-2-7(6)4-9(8)11/h3-7H,2H2,1H3
InChIKeyRWJNFPVTOUXLEA-UHFFFAOYSA-N
XLogP-0.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-3-propan-2-yl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole
CID 176685570
6-ethyl-5,6-dihydro-1H-benzimidazole
CID 89554317
Ethane;1-methyl-5,6-dihydrobenzimidazole
CID 142804358
1-Methyl-5,6-dihydrobenzimidazole
CID 142804359
1,4-Dimethyl-5,6-dihydrobenzimidazole;ethane
CID 144237869
1,4-Dimethyl-5,6-dihydrobenzimidazole
CID 144237870
5-Methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen
CID 145305376
1,4a,5,5a-Tetrahydrocyclopropa[f]benzimidazole;ethane;molecular hydrogen
CID 145305479
1,4a,5,5a-Tetrahydrocyclopropa[f]benzimidazole
CID 145305480
(5aR)-3-iodo-4a-methyl-5,5a-dihydrocyclopropa[f]benzimidazole
CID 146564174
ethane;3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole
CID 165122887
1,4a,5,5a-Tetrahydrocyclopropa[f]benzimidazole;ethane
CID 166131573

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole?
The IUPAC name of 3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole (CID 143453304) is 3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole.
What is the SMILES notation for 3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole?
The canonical SMILES for 3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole is Cn1cnc2c1=CC1CC1C=2.
What is the InChIKey of 3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole?
The InChIKey is RWJNFPVTOUXLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-11-5-10-8-3-6-2-7(6)4-9(8)11/h3-7H,2H2,1H3.
What are the key properties of 3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole?
3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole has a molecular weight of 146.19 g/mol, XLogP of -0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,5a-dihydro-4aH-cyclopropa[f]benzimidazole is sourced from PubChem (CID 143453304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).