(6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone

C13H15FN4O — CID 119576176

IUPAC(6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(F)cc3[nH]cnc23)CCN1
InChIInChI=1S/C13H15FN4O/c1-8-6-18(3-2-15-8)13(19)10-4-9(14)5-11-12(10)17-7-16-11/h4-5,7-8,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyLPCDNCTVYLQFDL-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.14
Rot. Bonds1

About (6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone

(6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 119576176) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is (6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone
PubChem CID119576176
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name(6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(F)cc3[nH]cnc23)CCN1
InChIInChI=1S/C13H15FN4O/c1-8-6-18(3-2-15-8)13(19)10-4-9(14)5-11-12(10)17-7-16-11/h4-5,7-8,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyLPCDNCTVYLQFDL-UHFFFAOYSA-N
XLogP1.14
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-1-(6-fluoro-1H-benzimidazole-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120953397
(7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119578005
(4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 119372809
(6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119394746
(3R,4R)-4-cyclopropyl-1-(6-fluoro-1H-benzimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120979753
(6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119542588
(6-fluoro-1H-benzimidazol-4-yl)-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
CID 95345286
(5-fluoro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579929
(3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576197
(2,5-difluoro-3-nitrophenyl)-(3-methylpiperazin-1-yl)methanone
CID 107121642
(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427532
(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427531

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone (CID 119576176) is (6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cc(F)cc3[nH]cnc23)CCN1.
What is the InChIKey of (6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is LPCDNCTVYLQFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8-6-18(3-2-15-8)13(19)10-4-9(14)5-11-12(10)17-7-16-11/h4-5,7-8,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of (6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone?
(6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone has a molecular weight of 262.29 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119576176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).