1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole

C26H28N2 — CID 18878938

IUPAC1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
SMILESCC(C)(C)c1ccc(Cn2c(CCc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C26H28N2/c1-26(2,3)22-16-13-21(14-17-22)19-28-24-12-8-7-11-23(24)27-25(28)18-15-20-9-5-4-6-10-20/h4-14,16-17H,15,18-19H2,1-3H3
InChIKeyKDZPXHRWAWVCKW-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.17
Rot. Bonds5

About 1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole

1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole (PubChem CID 18878938) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
PubChem CID18878938
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
SMILESCC(C)(C)c1ccc(Cn2c(CCc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C26H28N2/c1-26(2,3)22-16-13-21(14-17-22)19-28-24-12-8-7-11-23(24)27-25(28)18-15-20-9-5-4-6-10-20/h4-14,16-17H,15,18-19H2,1-3H3
InChIKeyKDZPXHRWAWVCKW-UHFFFAOYSA-N
XLogP6.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 39148178
1-benzyl-2-propylbenzimidazole
CID 764560
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 18884998
1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878943
1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
CID 18885452
N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993357
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997714
1-[(4-tert-butylphenyl)methyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997320
N-[2-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965888

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole (CID 18878938) is 1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole is CC(C)(C)c1ccc(Cn2c(CCc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole?
The InChIKey is KDZPXHRWAWVCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2/c1-26(2,3)22-16-13-21(14-17-22)19-28-24-12-8-7-11-23(24)27-25(28)18-15-20-9-5-4-6-10-20/h4-14,16-17H,15,18-19H2,1-3H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole?
1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole has a molecular weight of 368.52 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole is sourced from PubChem (CID 18878938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).