6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole

C14H18FN3 — CID 104595977

IUPAC6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole
SMILESCn1c(C2(C)CCCCN2)nc2ccc(F)cc21
InChIInChI=1S/C14H18FN3/c1-14(7-3-4-8-16-14)13-17-11-6-5-10(15)9-12(11)18(13)2/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyLWDVYRTZOSABMY-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.70
Rot. Bonds1

About 6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole

6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole (PubChem CID 104595977) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole.

Molecular Properties

Compound Name6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole
PubChem CID104595977
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole
SMILESCn1c(C2(C)CCCCN2)nc2ccc(F)cc21
InChIInChI=1S/C14H18FN3/c1-14(7-3-4-8-16-14)13-17-11-6-5-10(15)9-12(11)18(13)2/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyLWDVYRTZOSABMY-UHFFFAOYSA-N
XLogP2.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983234
[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436253
6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 55164403
4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine
CID 115292281
6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline
CID 82664652
1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole
CID 63134818
1-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61290258
5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole
CID 104595944
2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole
CID 63134021
6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole
CID 113316608
6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole
CID 113316558
1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine
CID 62378122

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole?
The IUPAC name of 6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole (CID 104595977) is 6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole.
What is the SMILES notation for 6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole?
The canonical SMILES for 6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole is Cn1c(C2(C)CCCCN2)nc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole?
The InChIKey is LWDVYRTZOSABMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-14(7-3-4-8-16-14)13-17-11-6-5-10(15)9-12(11)18(13)2/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of 6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole?
6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole has a molecular weight of 247.32 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole is sourced from PubChem (CID 104595977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).