2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole

C18H19FN4 — CID 168555198

IUPAC2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole
SMILESCN1CCN(c2cc(-c3nc4ccccc4[nH]3)ccc2F)CC1
InChIInChI=1S/C18H19FN4/c1-22-8-10-23(11-9-22)17-12-13(6-7-14(17)19)18-20-15-4-2-3-5-16(15)21-18/h2-7,12H,8-11H2,1H3,(H,20,21)
InChIKeyVCKXFKQTPSMWCD-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.12
Rot. Bonds2

About 2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole

2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole (PubChem CID 168555198) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole
PubChem CID168555198
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole
SMILESCN1CCN(c2cc(-c3nc4ccccc4[nH]3)ccc2F)CC1
InChIInChI=1S/C18H19FN4/c1-22-8-10-23(11-9-22)17-12-13(6-7-14(17)19)18-20-15-4-2-3-5-16(15)21-18/h2-7,12H,8-11H2,1H3,(H,20,21)
InChIKeyVCKXFKQTPSMWCD-UHFFFAOYSA-N
XLogP3.12
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one
CID 142670740
2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole
CID 71425720
2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole
CID 133410828
2-[3-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1H-benzimidazole
CID 11269144
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole
CID 12043258
2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
CID 168553765
[4-(1H-benzimidazol-2-yl)-2-fluorophenyl]methanol
CID 168555763
4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064
9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole
CID 102218320
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole (CID 168555198) is 2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole is CN1CCN(c2cc(-c3nc4ccccc4[nH]3)ccc2F)CC1.
What is the InChIKey of 2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole?
The InChIKey is VCKXFKQTPSMWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c1-22-8-10-23(11-9-22)17-12-13(6-7-14(17)19)18-20-15-4-2-3-5-16(15)21-18/h2-7,12H,8-11H2,1H3,(H,20,21).
What are the key properties of 2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole?
2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole has a molecular weight of 310.38 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 168555198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).