1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane

C14H19FN2 — CID 162381496

IUPAC1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane
SMILESCC.Cc1cc2ncn(C3CCC3)c2cc1F
InChIInChI=1S/C12H13FN2.C2H6/c1-8-5-11-12(6-10(8)13)15(7-14-11)9-3-2-4-9;1-2/h5-7,9H,2-4H2,1H3;1-2H3
InChIKeyOACQCYGXCDPTOR-UHFFFAOYSA-N
MW234.32 g/mol
LogP4.24
Rot. Bonds1

About 1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane

1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane (PubChem CID 162381496) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane.

Molecular Properties

Compound Name1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane
PubChem CID162381496
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane
SMILESCC.Cc1cc2ncn(C3CCC3)c2cc1F
InChIInChI=1S/C12H13FN2.C2H6/c1-8-5-11-12(6-10(8)13)15(7-14-11)9-3-2-4-9;1-2/h5-7,9H,2-4H2,1H3;1-2H3
InChIKeyOACQCYGXCDPTOR-UHFFFAOYSA-N
XLogP4.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-5,6-dimethylbenzimidazole
CID 115900464
1-cyclopropyl-6-fluorobenzimidazol-5-amine
CID 83829700
6-chloro-1-cyclobutylbenzimidazole
CID 126553044
5,6-difluoro-1-(oxan-3-yl)benzimidazole
CID 107137609
6-fluoro-5-methyl-1-(1-methylcyclopropyl)benzimidazole
CID 162381579
5-chloro-1-cyclohexylbenzimidazole
CID 15429072
cis-(1R,3S)-3-(5-fluoro-7-methylbenzimidazol-1-yl)cyclohexan-1-amine
CID 170646156
5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole
CID 116618591
2-(chloromethyl)-1-cyclobutyl-5-fluoro-6-methylbenzimidazole
CID 103593655
1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole
CID 115761322
5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole
CID 141100470
4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 141326357

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane?
The IUPAC name of 1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane (CID 162381496) is 1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane.
What is the SMILES notation for 1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane?
The canonical SMILES for 1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane is CC.Cc1cc2ncn(C3CCC3)c2cc1F.
What is the InChIKey of 1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane?
The InChIKey is OACQCYGXCDPTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2.C2H6/c1-8-5-11-12(6-10(8)13)15(7-14-11)9-3-2-4-9;1-2/h5-7,9H,2-4H2,1H3;1-2H3.
What are the key properties of 1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane?
1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane has a molecular weight of 234.32 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane is sourced from PubChem (CID 162381496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).