2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole

C18H17ClF2N4 — CID 155962034

IUPAC2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole
SMILESCn1c(N2CCN(c3ccc(F)cc3Cl)CC2)nc2c(F)cccc21
InChIInChI=1S/C18H17ClF2N4/c1-23-16-4-2-3-14(21)17(16)22-18(23)25-9-7-24(8-10-25)15-6-5-12(20)11-13(15)19/h2-6,11H,7-10H2,1H3
InChIKeyJXAKRNSKXCYBIG-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.83
Rot. Bonds2

About 2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole

2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole (PubChem CID 155962034) has the molecular formula C18H17ClF2N4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole
PubChem CID155962034
Molecular FormulaC18H17ClF2N4
Molecular Weight362.81 g/mol
Exact Mass362.11
IUPAC Name2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole
SMILESCn1c(N2CCN(c3ccc(F)cc3Cl)CC2)nc2c(F)cccc21
InChIInChI=1S/C18H17ClF2N4/c1-23-16-4-2-3-14(21)17(16)22-18(23)25-9-7-24(8-10-25)15-6-5-12(20)11-13(15)19/h2-6,11H,7-10H2,1H3
InChIKeyJXAKRNSKXCYBIG-UHFFFAOYSA-N
XLogP3.83
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-4-fluorobenzimidazole
CID 60789995
4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole
CID 100683576
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
2-(4-butoxypiperidin-1-yl)-4-fluoro-1-methylbenzimidazole
CID 155947479
4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
CID 136517944
2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole
CID 107529661
1-(2-chloro-4-fluorophenyl)indole
CID 139914970
6-(2-chloro-4-fluorophenyl)-1-oxa-6-azaspiro[2.5]octane
CID 118903899
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 75433334
2-(2-chloroethyl)-1-(2,4-difluorophenyl)-4-fluorobenzimidazole
CID 60789245
1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 133451832

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole?
The IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole (CID 155962034) is 2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole.
What is the SMILES notation for 2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole?
The canonical SMILES for 2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole is Cn1c(N2CCN(c3ccc(F)cc3Cl)CC2)nc2c(F)cccc21.
What is the InChIKey of 2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole?
The InChIKey is JXAKRNSKXCYBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4/c1-23-16-4-2-3-14(21)17(16)22-18(23)25-9-7-24(8-10-25)15-6-5-12(20)11-13(15)19/h2-6,11H,7-10H2,1H3.
What are the key properties of 2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole?
2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole has a molecular weight of 362.81 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole is sourced from PubChem (CID 155962034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).