5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline

C19H18FN3 — CID 143871450

IUPAC5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline
SMILESCc1cnc2ccccc2c1.Cc1nc2cc(F)c(C)cc2[nH]1
InChIInChI=1S/C10H9N.C9H9FN2/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-5-3-8-9(4-7(5)10)12-6(2)11-8/h2-7H,1H3;3-4H,1-2H3,(H,11,12)
InChIKeyYAQCGJHSTJTDOO-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.86
Rot. Bonds

About 5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline

5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline (PubChem CID 143871450) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline.

Molecular Properties

Compound Name5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline
PubChem CID143871450
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC Name5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline
SMILESCc1cnc2ccccc2c1.Cc1nc2cc(F)c(C)cc2[nH]1
InChIInChI=1S/C10H9N.C9H9FN2/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-5-3-8-9(4-7(5)10)12-6(2)11-8/h2-7H,1H3;3-4H,1-2H3,(H,11,12)
InChIKeyYAQCGJHSTJTDOO-UHFFFAOYSA-N
XLogP4.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylquinoline;pentane
CID 145470784
2-methyl-1H-benzimidazole
CID 11984
6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one
CID 59874558
2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline
CID 157381211
(6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine
CID 149051203
2-ethylnaphthalene;3-methylquinoline
CID 143066870
2,6-dimethyl-3H-benzo[f]benzimidazole;ethane
CID 144506658
5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole
CID 90821607
methanamine;2-methyl-1H-benzimidazole
CID 143453689
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine
CID 63644523
ethane;2-methyl-1H-benzimidazole;molecular hydrogen
CID 166167875

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline?
The IUPAC name of 5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline (CID 143871450) is 5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline.
What is the SMILES notation for 5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline?
The canonical SMILES for 5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline is Cc1cnc2ccccc2c1.Cc1nc2cc(F)c(C)cc2[nH]1.
What is the InChIKey of 5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline?
The InChIKey is YAQCGJHSTJTDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C9H9FN2/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-5-3-8-9(4-7(5)10)12-6(2)11-8/h2-7H,1H3;3-4H,1-2H3,(H,11,12).
What are the key properties of 5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline?
5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline has a molecular weight of 307.37 g/mol, XLogP of 4.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline is sourced from PubChem (CID 143871450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).