5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole

C8H9FN2 — CID 149309374

IUPAC5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole
SMILESCC1=CC2NC=NC2C=C1F
InChIInChI=1S/C8H9FN2/c1-5-2-7-8(3-6(5)9)11-4-10-7/h2-4,7-8H,1H3,(H,10,11)
InChIKeyXYHPCXQWGNZDOQ-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.17
Rot. Bonds

About 5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole

5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole (PubChem CID 149309374) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole
PubChem CID149309374
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole
SMILESCC1=CC2NC=NC2C=C1F
InChIInChI=1S/C8H9FN2/c1-5-2-7-8(3-6(5)9)11-4-10-7/h2-4,7-8H,1H3,(H,10,11)
InChIKeyXYHPCXQWGNZDOQ-UHFFFAOYSA-N
XLogP1.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole
CID 89120906
4,7-difluoro-3a,7a-dihydro-1H-benzimidazole
CID 89300197
4-fluoro-7-(2-fluoroethyl)-6-propan-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 91281240
5-fluoro-2-methylsulfanyl-6-propyl-3a,7a-dihydro-1H-benzimidazole
CID 144168292
6-fluoro-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 144315861
6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole
CID 146992511
6-fluoro-5-methyl-3a,6,7,7a-tetrahydro-1H-benzimidazole
CID 163582524
4-fluoro-7-(2-fluoroethyl)-6-propan-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 91281241
2-methyl-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole
CID 144315719
5-ethenyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-4,5-dihydro-1H-imidazole
CID 144315786
6-(difluoromethyl)-2-[(2Z,4Z)-3-fluorohexa-2,4-dien-2-yl]-3a,7a-dihydro-1H-benzimidazole
CID 144415060
6-(difluoromethyl)-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 144415080

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole?
The IUPAC name of 5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole (CID 149309374) is 5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole.
What is the SMILES notation for 5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole?
The canonical SMILES for 5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole is CC1=CC2NC=NC2C=C1F.
What is the InChIKey of 5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole?
The InChIKey is XYHPCXQWGNZDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2/c1-5-2-7-8(3-6(5)9)11-4-10-7/h2-4,7-8H,1H3,(H,10,11).
What are the key properties of 5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole?
5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole has a molecular weight of 152.17 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 149309374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).