2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole

C24H25ClN4 — CID 3062219

IUPAC2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole
SMILESCn1c(CCN2CCN(c3ccc(Cl)cc3)CC2)nc2ccc3ccccc3c21
InChIInChI=1S/C24H25ClN4/c1-27-23(26-22-11-6-18-4-2-3-5-21(18)24(22)27)12-13-28-14-16-29(17-15-28)20-9-7-19(25)8-10-20/h2-11H,12-17H2,1H3
InChIKeyZNFPJYOJFBZARP-UHFFFAOYSA-N
MW404.95 g/mol
LogP4.74
Rot. Bonds4

About 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole

2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole (PubChem CID 3062219) has the molecular formula C24H25ClN4 and a molecular weight of 404.95 g/mol. Its IUPAC name is 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole.

Molecular Properties

Compound Name2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole
PubChem CID3062219
Molecular FormulaC24H25ClN4
Molecular Weight404.95 g/mol
Exact Mass404.18
IUPAC Name2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole
SMILESCn1c(CCN2CCN(c3ccc(Cl)cc3)CC2)nc2ccc3ccccc3c21
InChIInChI=1S/C24H25ClN4/c1-27-23(26-22-11-6-18-4-2-3-5-21(18)24(22)27)12-13-28-14-16-29(17-15-28)20-9-7-19(25)8-10-20/h2-11H,12-17H2,1H3
InChIKeyZNFPJYOJFBZARP-UHFFFAOYSA-N
XLogP4.74
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.95
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole?
The IUPAC name of 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole (CID 3062219) is 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole.
What is the SMILES notation for 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole?
The canonical SMILES for 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole is Cn1c(CCN2CCN(c3ccc(Cl)cc3)CC2)nc2ccc3ccccc3c21.
What is the InChIKey of 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole?
The InChIKey is ZNFPJYOJFBZARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4/c1-27-23(26-22-11-6-18-4-2-3-5-21(18)24(22)27)12-13-28-14-16-29(17-15-28)20-9-7-19(25)8-10-20/h2-11H,12-17H2,1H3.
What are the key properties of 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole?
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole has a molecular weight of 404.95 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole is sourced from PubChem (CID 3062219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).