6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole

C13H17FN4 — CID 142672434

IUPAC6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole
SMILESCC1CN(Cc2nc3ccc(F)cc3[nH]2)CCN1
InChIInChI=1S/C13H17FN4/c1-9-7-18(5-4-15-9)8-13-16-11-3-2-10(14)6-12(11)17-13/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyOQFWWUCDJWQJIE-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.50
Rot. Bonds2

About 6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole

6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole (PubChem CID 142672434) has the molecular formula C13H17FN4 and a molecular weight of 248.30 g/mol. Its IUPAC name is 6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole
PubChem CID142672434
Molecular FormulaC13H17FN4
Molecular Weight248.30 g/mol
Exact Mass248.14
IUPAC Name6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole
SMILESCC1CN(Cc2nc3ccc(F)cc3[nH]2)CCN1
InChIInChI=1S/C13H17FN4/c1-9-7-18(5-4-15-9)8-13-16-11-3-2-10(14)6-12(11)17-13/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyOQFWWUCDJWQJIE-UHFFFAOYSA-N
XLogP1.50
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 120840187
6-fluoro-2-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-benzothiazole;hydrochloride
CID 120845803
(3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol
CID 99715280
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole
CID 82335981
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 30673499
2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol
CID 81431285
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
CID 43375659
3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one
CID 104975782
(3R)-1-[(5-fluoro-2-nitrophenyl)methyl]-3-methylpiperazine
CID 104975768
2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine
CID 134084566
1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
CID 104926835

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole (CID 142672434) is 6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole is CC1CN(Cc2nc3ccc(F)cc3[nH]2)CCN1.
What is the InChIKey of 6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole?
The InChIKey is OQFWWUCDJWQJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-9-7-18(5-4-15-9)8-13-16-11-3-2-10(14)6-12(11)17-13/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole?
6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole has a molecular weight of 248.30 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 142672434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).