5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole

C14H17F2N3 — CID 84639882

IUPAC5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
SMILESCn1c(CC2CCCCN2)nc2cc(F)cc(F)c21
InChIInChI=1S/C14H17F2N3/c1-19-13(8-10-4-2-3-5-17-10)18-12-7-9(15)6-11(16)14(12)19/h6-7,10,17H,2-5,8H2,1H3
InChIKeyGQEHUFCKAHSFHL-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.54
Rot. Bonds2

About 5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole

5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole (PubChem CID 84639882) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
PubChem CID84639882
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
SMILESCn1c(CC2CCCCN2)nc2cc(F)cc(F)c21
InChIInChI=1S/C14H17F2N3/c1-19-13(8-10-4-2-3-5-17-10)18-12-7-9(15)6-11(16)14(12)19/h6-7,10,17H,2-5,8H2,1H3
InChIKeyGQEHUFCKAHSFHL-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84646012
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
2-[(2,3,5-trifluorophenyl)methyl]piperidine
CID 117118174
1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84636819
1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 83858076
3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 84641963
2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole
CID 82149978
6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84630966
6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 115472334
6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84646013
5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62217192

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole?
The IUPAC name of 5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole (CID 84639882) is 5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole.
What is the SMILES notation for 5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole?
The canonical SMILES for 5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole is Cn1c(CC2CCCCN2)nc2cc(F)cc(F)c21.
What is the InChIKey of 5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole?
The InChIKey is GQEHUFCKAHSFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-19-13(8-10-4-2-3-5-17-10)18-12-7-9(15)6-11(16)14(12)19/h6-7,10,17H,2-5,8H2,1H3.
What are the key properties of 5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole?
5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole has a molecular weight of 265.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole is sourced from PubChem (CID 84639882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).