6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole

C12H17FN2 — CID 149243999

IUPAC6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
SMILESCC[C@@H](C)C1C=c2[nH]c(C)nc2=CC1F
InChIInChI=1S/C12H17FN2/c1-4-7(2)9-5-11-12(6-10(9)13)15-8(3)14-11/h5-7,9-10H,4H2,1-3H3,(H,14,15)/t7-,9?,10?/m1/s1
InChIKeyXMSXPTGAWWEKBZ-CUUXFQNZSA-N
MW208.28 g/mol
LogP1.29
Rot. Bonds2

About 6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole

6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole (PubChem CID 149243999) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
PubChem CID149243999
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
SMILESCC[C@@H](C)C1C=c2[nH]c(C)nc2=CC1F
InChIInChI=1S/C12H17FN2/c1-4-7(2)9-5-11-12(6-10(9)13)15-8(3)14-11/h5-7,9-10H,4H2,1-3H3,(H,14,15)/t7-,9?,10?/m1/s1
InChIKeyXMSXPTGAWWEKBZ-CUUXFQNZSA-N
XLogP1.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.29
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
2-methyl-6-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-1H-benzimidazole
CID 123522545
6-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 144315828
4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 145497300
2,6-dimethyl-5,6-dihydro-1H-benzimidazole
CID 89510027
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

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole?
The IUPAC name of 6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole (CID 149243999) is 6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole.
What is the SMILES notation for 6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole?
The canonical SMILES for 6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole is CC[C@@H](C)C1C=c2[nH]c(C)nc2=CC1F.
What is the InChIKey of 6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole?
The InChIKey is XMSXPTGAWWEKBZ-CUUXFQNZSA-N. The full InChI is InChI=1S/C12H17FN2/c1-4-7(2)9-5-11-12(6-10(9)13)15-8(3)14-11/h5-7,9-10H,4H2,1-3H3,(H,14,15)/t7-,9?,10?/m1/s1.
What are the key properties of 6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole?
6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole has a molecular weight of 208.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-butan-2-yl]-5-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole is sourced from PubChem (CID 149243999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).