N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide

C24H31N3O2 — CID 17006002

IUPACN-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2ccccc2n1CCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H31N3O2/c1-18(28)25-17-23-26-21-9-5-6-10-22(21)27(23)15-7-8-16-29-20-13-11-19(12-14-20)24(2,3)4/h5-6,9-14H,7-8,15-17H2,1-4H3,(H,25,28)
InChIKeyZKRMUIYQQFEKCA-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.83
Rot. Bonds8

About N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide

N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide (PubChem CID 17006002) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
PubChem CID17006002
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2ccccc2n1CCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H31N3O2/c1-18(28)25-17-23-26-21-9-5-6-10-22(21)27(23)15-7-8-16-29-20-13-11-19(12-14-20)24(2,3)4/h5-6,9-14H,7-8,15-17H2,1-4H3,(H,25,28)
InChIKeyZKRMUIYQQFEKCA-UHFFFAOYSA-N
XLogP4.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969578
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
CID 16972479
N-[2-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974216
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972317
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925
N-[[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17009076
N-[[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]methyl]acetamide
CID 17005978
(Z)-N-[[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970846
N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17005993
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969576
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975801
N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968473

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide?
The IUPAC name of N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide (CID 17006002) is N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide is CC(=O)NCc1nc2ccccc2n1CCCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide?
The InChIKey is ZKRMUIYQQFEKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18(28)25-17-23-26-21-9-5-6-10-22(21)27(23)15-7-8-16-29-20-13-11-19(12-14-20)24(2,3)4/h5-6,9-14H,7-8,15-17H2,1-4H3,(H,25,28).
What are the key properties of N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide?
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 17006002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).