1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole

C20H22Cl2N4 — CID 134490854

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole
SMILESCC1CNCCN1c1ccc2ncn(C(C)c3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C20H22Cl2N4/c1-13-11-23-7-8-25(13)16-4-6-19-20(10-16)26(12-24-19)14(2)17-5-3-15(21)9-18(17)22/h3-6,9-10,12-14,23H,7-8,11H2,1-2H3
InChIKeyRPVQPYGPNLOPDA-UHFFFAOYSA-N
MW389.33 g/mol
LogP4.75
Rot. Bonds3

About 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole

1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole (PubChem CID 134490854) has the molecular formula C20H22Cl2N4 and a molecular weight of 389.33 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole
PubChem CID134490854
Molecular FormulaC20H22Cl2N4
Molecular Weight389.33 g/mol
Exact Mass388.12
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole
SMILESCC1CNCCN1c1ccc2ncn(C(C)c3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C20H22Cl2N4/c1-13-11-23-7-8-25(13)16-4-6-19-20(10-16)26(12-24-19)14(2)17-5-3-15(21)9-18(17)22/h3-6,9-10,12-14,23H,7-8,11H2,1-2H3
InChIKeyRPVQPYGPNLOPDA-UHFFFAOYSA-N
XLogP4.75
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-(2-methylpyrrolidin-2-yl)methanone
CID 123510359
N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide
CID 130444885
(2R)-N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 130444870
(3-aminopiperidin-1-yl)-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperidin-4-yl]methanone
CID 78120696
1-(3-chloro-4-methylphenyl)-2-methylpiperazine
CID 64939185
[(2R)-4-[3-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 134490884
(1-aminocyclopentyl)-[(2R)-4-[3-[1-(4-chloro-2-fluorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]methanone
CID 123718623
1-(4-bromo-3-chlorophenyl)-2-methylpiperazine
CID 107617353
6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole
CID 78120801
(2S)-1-(2,5-dichlorophenyl)-2-methylpiperazine
CID 11492480
1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114717627
(2S)-1-(4-fluoro-3-methoxyphenyl)-2-methylpiperazine
CID 96908124

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole (CID 134490854) is 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole is CC1CNCCN1c1ccc2ncn(C(C)c3ccc(Cl)cc3Cl)c2c1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole?
The InChIKey is RPVQPYGPNLOPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4/c1-13-11-23-7-8-25(13)16-4-6-19-20(10-16)26(12-24-19)14(2)17-5-3-15(21)9-18(17)22/h3-6,9-10,12-14,23H,7-8,11H2,1-2H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole?
1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole has a molecular weight of 389.33 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole is sourced from PubChem (CID 134490854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).