1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole

C22H28N4 — CID 59568251

IUPAC1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole
SMILESCC(C)CN1CCN(c2cccc(-c3nc4ccccc4n3C)c2)CC1
InChIInChI=1S/C22H28N4/c1-17(2)16-25-11-13-26(14-12-25)19-8-6-7-18(15-19)22-23-20-9-4-5-10-21(20)24(22)3/h4-10,15,17H,11-14,16H2,1-3H3
InChIKeyBDISCFXLCNRIAZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.02
Rot. Bonds4

About 1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole

1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole (PubChem CID 59568251) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole
PubChem CID59568251
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole
SMILESCC(C)CN1CCN(c2cccc(-c3nc4ccccc4n3C)c2)CC1
InChIInChI=1S/C22H28N4/c1-17(2)16-25-11-13-26(14-12-25)19-8-6-7-18(15-19)22-23-20-9-4-5-10-21(20)24(22)3/h4-10,15,17H,11-14,16H2,1-3H3
InChIKeyBDISCFXLCNRIAZ-UHFFFAOYSA-N
XLogP4.02
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole?
The IUPAC name of 1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole (CID 59568251) is 1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole is CC(C)CN1CCN(c2cccc(-c3nc4ccccc4n3C)c2)CC1.
What is the InChIKey of 1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole?
The InChIKey is BDISCFXLCNRIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-17(2)16-25-11-13-26(14-12-25)19-8-6-7-18(15-19)22-23-20-9-4-5-10-21(20)24(22)3/h4-10,15,17H,11-14,16H2,1-3H3.
What are the key properties of 1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole?
1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole has a molecular weight of 348.49 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole is sourced from PubChem (CID 59568251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).