1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole

C25H32N4 — CID 134605369

IUPAC1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole
SMILESCN1CCN(c2ccc3ncn(C(c4ccccc4)C4CCCCC4)c3c2)CC1
InChIInChI=1S/C25H32N4/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/h2,4-5,8-9,12-13,18-19,21,25H,3,6-7,10-11,14-17H2,1H3
InChIKeyZBSCOYVSPNGSKZ-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.96
Rot. Bonds4

About 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole

1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole (PubChem CID 134605369) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole.

Molecular Properties

Compound Name1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole
PubChem CID134605369
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC Name1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole
SMILESCN1CCN(c2ccc3ncn(C(c4ccccc4)C4CCCCC4)c3c2)CC1
InChIInChI=1S/C25H32N4/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/h2,4-5,8-9,12-13,18-19,21,25H,3,6-7,10-11,14-17H2,1H3
InChIKeyZBSCOYVSPNGSKZ-UHFFFAOYSA-N
XLogP4.96
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole?
The IUPAC name of 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole (CID 134605369) is 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole.
What is the SMILES notation for 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole?
The canonical SMILES for 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole is CN1CCN(c2ccc3ncn(C(c4ccccc4)C4CCCCC4)c3c2)CC1.
What is the InChIKey of 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole?
The InChIKey is ZBSCOYVSPNGSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4/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/h2,4-5,8-9,12-13,18-19,21,25H,3,6-7,10-11,14-17H2,1H3.
What are the key properties of 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole?
1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole has a molecular weight of 388.56 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole is sourced from PubChem (CID 134605369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).