6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole

C11H15FN2 — CID 123357032

IUPAC6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole
SMILESCc1nc2c([nH]1)CC(F)C(C(C)C)=C2
InChIInChI=1S/C11H15FN2/c1-6(2)8-4-10-11(5-9(8)12)14-7(3)13-10/h4,6,9H,5H2,1-3H3,(H,13,14)
InChIKeyJHEMEGPWGSEGCH-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.65
Rot. Bonds1

About 6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole

6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole (PubChem CID 123357032) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole
PubChem CID123357032
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole
SMILESCc1nc2c([nH]1)CC(F)C(C(C)C)=C2
InChIInChI=1S/C11H15FN2/c1-6(2)8-4-10-11(5-9(8)12)14-7(3)13-10/h4,6,9H,5H2,1-3H3,(H,13,14)
InChIKeyJHEMEGPWGSEGCH-UHFFFAOYSA-N
XLogP2.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole
CID 88870246
6-Fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole
CID 123456855
1-(2-Fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole
CID 123630041
6-fluoro-2,4-dimethyl-6,7-dihydro-1H-benzimidazole
CID 123870600
4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine
CID 126607252
6-Chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole
CID 142985985
5-Chloro-2-methyl-7-(trifluoromethyl)-1,8-dihydrocyclohepta[d]imidazole
CID 142985992
4-[(2E)-4-bromo-1,1,1-trifluoropenta-2,4-dien-2-yl]-5-ethyl-2-methyl-1H-imidazole
CID 142985997
2-Methyl-4-(trifluoromethyl)-1,6-dihydrocyclohepta[d]imidazole
CID 142985998
6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole
CID 149388956
5-Chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole
CID 155183804
6-Chloro-2-(3-methylbutan-2-yl)-5-(trifluoromethyl)-1,5a,6,6a-tetrahydrocyclopropa[e]benzimidazole
CID 163889838

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole (CID 123357032) is 6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole is Cc1nc2c([nH]1)CC(F)C(C(C)C)=C2.
What is the InChIKey of 6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole?
The InChIKey is JHEMEGPWGSEGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-6(2)8-4-10-11(5-9(8)12)14-7(3)13-10/h4,6,9H,5H2,1-3H3,(H,13,14).
What are the key properties of 6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole?
6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole has a molecular weight of 194.25 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole is sourced from PubChem (CID 123357032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).