1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole

C26H36N4 — CID 18885452

IUPAC1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
SMILESCN1CCN(CCCc2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C26H36N4/c1-26(2,3)22-13-11-21(12-14-22)20-30-24-9-6-5-8-23(24)27-25(30)10-7-15-29-18-16-28(4)17-19-29/h5-6,8-9,11-14H,7,10,15-20H2,1-4H3
InChIKeyFDFFCAWATFPKBV-UHFFFAOYSA-N
MW404.60 g/mol
LogP4.56
Rot. Bonds6

About 1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole

1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole (PubChem CID 18885452) has the molecular formula C26H36N4 and a molecular weight of 404.60 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
PubChem CID18885452
Molecular FormulaC26H36N4
Molecular Weight404.60 g/mol
Exact Mass404.29
IUPAC Name1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
SMILESCN1CCN(CCCc2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C26H36N4/c1-26(2,3)22-13-11-21(12-14-22)20-30-24-9-6-5-8-23(24)27-25(30)10-7-15-29-18-16-28(4)17-19-29/h5-6,8-9,11-14H,7,10,15-20H2,1-4H3
InChIKeyFDFFCAWATFPKBV-UHFFFAOYSA-N
XLogP4.56
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
CID 90040298
1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 18884998
1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878938
4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine
CID 18885480
2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18885630
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993357
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
2-[3-(azepan-1-yl)propyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 18885639
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole
CID 54195084
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole (CID 18885452) is 1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole is CN1CCN(CCCc2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole?
The InChIKey is FDFFCAWATFPKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4/c1-26(2,3)22-13-11-21(12-14-22)20-30-24-9-6-5-8-23(24)27-25(30)10-7-15-29-18-16-28(4)17-19-29/h5-6,8-9,11-14H,7,10,15-20H2,1-4H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole?
1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole has a molecular weight of 404.60 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole is sourced from PubChem (CID 18885452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).