1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole

C25H26N4 — CID 134589008

IUPAC1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole
SMILESCN1CCN(c2ccc3ncn(C(c4ccccc4)c4ccccc4)c3c2)CC1
InChIInChI=1S/C25H26N4/c1-27-14-16-28(17-15-27)22-12-13-23-24(18-22)29(19-26-23)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18-19,25H,14-17H2,1H3
InChIKeySLHWFGGHOSQHOS-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.43
Rot. Bonds4

About 1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole

1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole (PubChem CID 134589008) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole.

Molecular Properties

Compound Name1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole
PubChem CID134589008
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole
SMILESCN1CCN(c2ccc3ncn(C(c4ccccc4)c4ccccc4)c3c2)CC1
InChIInChI=1S/C25H26N4/c1-27-14-16-28(17-15-27)22-12-13-23-24(18-22)29(19-26-23)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18-19,25H,14-17H2,1H3
InChIKeySLHWFGGHOSQHOS-UHFFFAOYSA-N
XLogP4.43
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole
CID 134605369
3-[4-(3-benzhydrylbenzimidazol-5-yl)piperazin-1-yl]propanenitrile
CID 139508001
1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole
CID 134605166
N-[3-[4-(3-benzhydrylbenzimidazol-5-yl)piperazin-1-yl]propyl]methanesulfonamide
CID 139507935
ethyl 2-[4-(3-benzhydrylbenzimidazol-5-yl)piperazin-1-yl]acetate
CID 139507928
dimethyl-[2-[[6-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methoxy]ethyl]-propan-2-ylsilane
CID 90084296
1-[(4-fluorophenyl)-phenylmethyl]benzimidazole
CID 54576777
1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole
CID 134590104
1-benzhydryl-4-methylpiperazine
CID 6726
6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 132609713
1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine
CID 25218278
2-(4-benzhydrylpiperazin-1-yl)-9-methylpurine
CID 3052976

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole?
The IUPAC name of 1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole (CID 134589008) is 1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole.
What is the SMILES notation for 1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole?
The canonical SMILES for 1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole is CN1CCN(c2ccc3ncn(C(c4ccccc4)c4ccccc4)c3c2)CC1.
What is the InChIKey of 1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole?
The InChIKey is SLHWFGGHOSQHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-27-14-16-28(17-15-27)22-12-13-23-24(18-22)29(19-26-23)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18-19,25H,14-17H2,1H3.
What are the key properties of 1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole?
1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole has a molecular weight of 382.51 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-6-(4-methylpiperazin-1-yl)benzimidazole is sourced from PubChem (CID 134589008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).