4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole

C13H15F2N3 — CID 84634258

IUPAC4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
SMILESCn1c(CC2CCNC2)nc2c(F)cc(F)cc21
InChIInChI=1S/C13H15F2N3/c1-18-11-6-9(14)5-10(15)13(11)17-12(18)4-8-2-3-16-7-8/h5-6,8,16H,2-4,7H2,1H3
InChIKeyXTIXYLFMFGHLHZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.00
Rot. Bonds2

About 4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole

4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole (PubChem CID 84634258) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
PubChem CID84634258
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
SMILESCn1c(CC2CCNC2)nc2c(F)cc(F)cc21
InChIInChI=1S/C13H15F2N3/c1-18-11-6-9(14)5-10(15)13(11)17-12(18)4-8-2-3-16-7-8/h5-6,8,16H,2-4,7H2,1H3
InChIKeyXTIXYLFMFGHLHZ-UHFFFAOYSA-N
XLogP2.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84633641
4,6-difluoro-1-methyl-2-piperidin-4-ylbenzimidazole
CID 84634250
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
CID 83858069
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
CID 83858071
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile
CID 84629732
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 84637794
1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 84636844
6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632400
1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62690625
6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole
CID 62689624
4-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-triazole
CID 97011669
5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632364

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole?
The IUPAC name of 4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole (CID 84634258) is 4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole?
The canonical SMILES for 4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole is Cn1c(CC2CCNC2)nc2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole?
The InChIKey is XTIXYLFMFGHLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-18-11-6-9(14)5-10(15)13(11)17-12(18)4-8-2-3-16-7-8/h5-6,8,16H,2-4,7H2,1H3.
What are the key properties of 4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole?
4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole has a molecular weight of 251.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 84634258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).