N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide

C29H33N3O2 — CID 16975801

IUPACN-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(C)(C)c1ccc(OCCCn2c(CCNC(=O)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C29H33N3O2/c1-29(2,3)23-14-16-24(17-15-23)34-21-9-20-32-26-13-8-7-12-25(26)31-27(32)18-19-30-28(33)22-10-5-4-6-11-22/h4-8,10-17H,9,18-21H2,1-3H3,(H,30,33)
InChIKeyFAPQTHUZXVMXKK-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.78
Rot. Bonds9

About N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide

N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16975801) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16975801
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(C)(C)c1ccc(OCCCn2c(CCNC(=O)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C29H33N3O2/c1-29(2,3)23-14-16-24(17-15-23)34-21-9-20-32-26-13-8-7-12-25(26)31-27(32)18-19-30-28(33)22-10-5-4-6-11-22/h4-8,10-17H,9,18-21H2,1-3H3,(H,30,33)
InChIKeyFAPQTHUZXVMXKK-UHFFFAOYSA-N
XLogP5.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.78
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-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976602
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 16977216
N-[2-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974216
4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976598
N-[2-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 16977095
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978316
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982302
N-[3-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]propyl]-3-chlorobenzamide
CID 16983585
2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide
CID 3160758
N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975792
N-[3-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 16983206
4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976738

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide (CID 16975801) is N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide is CC(C)(C)c1ccc(OCCCn2c(CCNC(=O)c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is FAPQTHUZXVMXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-29(2,3)23-14-16-24(17-15-23)34-21-9-20-32-26-13-8-7-12-25(26)31-27(32)18-19-30-28(33)22-10-5-4-6-11-22/h4-8,10-17H,9,18-21H2,1-3H3,(H,30,33).
What are the key properties of N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 455.60 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16975801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).