3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole

C26H25N3O — CID 16681098

IUPAC3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole
SMILESCC(C)(C)c1ccc(Cn2c(Cc3noc4ccccc34)nc3ccccc32)cc1
InChIInChI=1S/C26H25N3O/c1-26(2,3)19-14-12-18(13-15-19)17-29-23-10-6-5-9-21(23)27-25(29)16-22-20-8-4-7-11-24(20)30-28-22/h4-15H,16-17H2,1-3H3
InChIKeyBZYVLXCPZGQYEA-UHFFFAOYSA-N
MW395.51 g/mol
LogP6.11
Rot. Bonds4

About 3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole

3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole (PubChem CID 16681098) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole
PubChem CID16681098
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole
SMILESCC(C)(C)c1ccc(Cn2c(Cc3noc4ccccc34)nc3ccccc32)cc1
InChIInChI=1S/C26H25N3O/c1-26(2,3)19-14-12-18(13-15-19)17-29-23-10-6-5-9-21(23)27-25(29)16-22-20-8-4-7-11-24(20)30-28-22/h4-15H,16-17H2,1-3H3
InChIKeyBZYVLXCPZGQYEA-UHFFFAOYSA-N
XLogP6.11
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 18884998
1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878938
1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997714
1-[(4-tert-butylphenyl)methyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997320
9-[(4-tert-butylphenyl)methyl]carbazole
CID 154964214
3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole
CID 71426136
1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
CID 18885452
1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000629
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968118
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
N-[2-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965888
2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole
CID 45276591

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole?
The IUPAC name of 3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole (CID 16681098) is 3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole.
What is the SMILES notation for 3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole?
The canonical SMILES for 3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole is CC(C)(C)c1ccc(Cn2c(Cc3noc4ccccc34)nc3ccccc32)cc1.
What is the InChIKey of 3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole?
The InChIKey is BZYVLXCPZGQYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-26(2,3)19-14-12-18(13-15-19)17-29-23-10-6-5-9-21(23)27-25(29)16-22-20-8-4-7-11-24(20)30-28-22/h4-15H,16-17H2,1-3H3.
What are the key properties of 3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole?
3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole has a molecular weight of 395.51 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-1,2-benzoxazole is sourced from PubChem (CID 16681098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).