1-cyclobutyl-5-fluoro-2-methylbenzimidazole

C12H13FN2 — CID 139518340

IUPAC1-cyclobutyl-5-fluoro-2-methylbenzimidazole
SMILESCc1nc2cc(F)ccc2n1C1CCC1
InChIInChI=1S/C12H13FN2/c1-8-14-11-7-9(13)5-6-12(11)15(8)10-3-2-4-10/h5-7,10H,2-4H2,1H3
InChIKeyCZFIUJADBHYWQL-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.21
Rot. Bonds1

About 1-cyclobutyl-5-fluoro-2-methylbenzimidazole

1-cyclobutyl-5-fluoro-2-methylbenzimidazole (PubChem CID 139518340) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-cyclobutyl-5-fluoro-2-methylbenzimidazole.

Molecular Properties

Compound Name1-cyclobutyl-5-fluoro-2-methylbenzimidazole
PubChem CID139518340
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name1-cyclobutyl-5-fluoro-2-methylbenzimidazole
SMILESCc1nc2cc(F)ccc2n1C1CCC1
InChIInChI=1S/C12H13FN2/c1-8-14-11-7-9(13)5-6-12(11)15(8)10-3-2-4-10/h5-7,10H,2-4H2,1H3
InChIKeyCZFIUJADBHYWQL-UHFFFAOYSA-N
XLogP3.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 1469473
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide
CID 110166636
1-cyclopropyl-5-ethynyl-2-methylbenzimidazole
CID 162380804
1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
CID 28693642
4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 1469458
5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
CID 107811484
1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 60784858
2,5-dimethyl-1-piperidin-3-ylbenzimidazole
CID 84793055
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)cyclobutan-1-amine
CID 117355811
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
CID 54595254

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-fluoro-2-methylbenzimidazole?
The IUPAC name of 1-cyclobutyl-5-fluoro-2-methylbenzimidazole (CID 139518340) is 1-cyclobutyl-5-fluoro-2-methylbenzimidazole.
What is the SMILES notation for 1-cyclobutyl-5-fluoro-2-methylbenzimidazole?
The canonical SMILES for 1-cyclobutyl-5-fluoro-2-methylbenzimidazole is Cc1nc2cc(F)ccc2n1C1CCC1.
What is the InChIKey of 1-cyclobutyl-5-fluoro-2-methylbenzimidazole?
The InChIKey is CZFIUJADBHYWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-8-14-11-7-9(13)5-6-12(11)15(8)10-3-2-4-10/h5-7,10H,2-4H2,1H3.
What are the key properties of 1-cyclobutyl-5-fluoro-2-methylbenzimidazole?
1-cyclobutyl-5-fluoro-2-methylbenzimidazole has a molecular weight of 204.25 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-fluoro-2-methylbenzimidazole is sourced from PubChem (CID 139518340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).