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

C24H24N4O — CID 71425720

IUPAC2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole
SMILESCN1CCN(c2cccc(Oc3ccc(-c4nc5ccccc5[nH]4)cc3)c2)CC1
InChIInChI=1S/C24H24N4O/c1-27-13-15-28(16-14-27)19-5-4-6-21(17-19)29-20-11-9-18(10-12-20)24-25-22-7-2-3-8-23(22)26-24/h2-12,17H,13-16H2,1H3,(H,25,26)
InChIKeyMGDZDTMYXISCRO-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.77
Rot. Bonds4

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

2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole (PubChem CID 71425720) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole
PubChem CID71425720
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole
SMILESCN1CCN(c2cccc(Oc3ccc(-c4nc5ccccc5[nH]4)cc3)c2)CC1
InChIInChI=1S/C24H24N4O/c1-27-13-15-28(16-14-27)19-5-4-6-21(17-19)29-20-11-9-18(10-12-20)24-25-22-7-2-3-8-23(22)26-24/h2-12,17H,13-16H2,1H3,(H,25,26)
InChIKeyMGDZDTMYXISCRO-UHFFFAOYSA-N
XLogP4.77
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole (CID 71425720) is 2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole is CN1CCN(c2cccc(Oc3ccc(-c4nc5ccccc5[nH]4)cc3)c2)CC1.
What is the InChIKey of 2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole?
The InChIKey is MGDZDTMYXISCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-27-13-15-28(16-14-27)19-5-4-6-21(17-19)29-20-11-9-18(10-12-20)24-25-22-7-2-3-8-23(22)26-24/h2-12,17H,13-16H2,1H3,(H,25,26).
What are the key properties of 2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole?
2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole has a molecular weight of 384.48 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole is sourced from PubChem (CID 71425720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).