N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide

C28H31N3O3 — CID 16982302

IUPACN-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
SMILESCOc1ccc(OCCCCn2c(CCCNC(=O)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C28H31N3O3/c1-33-23-15-17-24(18-16-23)34-21-8-7-20-31-26-13-6-5-12-25(26)30-27(31)14-9-19-29-28(32)22-10-3-2-4-11-22/h2-6,10-13,15-18H,7-9,14,19-21H2,1H3,(H,29,32)
InChIKeyHRKPONGGFDARKQ-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.27
Rot. Bonds12

About N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide

N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16982302) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID16982302
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
SMILESCOc1ccc(OCCCCn2c(CCCNC(=O)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C28H31N3O3/c1-33-23-15-17-24(18-16-23)34-21-8-7-20-31-26-13-6-5-12-25(26)30-27(31)14-9-19-29-28(32)22-10-3-2-4-11-22/h2-6,10-13,15-18H,7-9,14,19-21H2,1H3,(H,29,32)
InChIKeyHRKPONGGFDARKQ-UHFFFAOYSA-N
XLogP5.27
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide 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

N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964514
N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982304
N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964490
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991334
N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide
CID 16984092
N-[3-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]propyl]-3-methoxybenzamide
CID 16983745
4-chloro-N-[2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977241
N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982245
4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991331
N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964463
4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976738
4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984642

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide (CID 16982302) is N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide is COc1ccc(OCCCCn2c(CCCNC(=O)c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is HRKPONGGFDARKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-33-23-15-17-24(18-16-23)34-21-8-7-20-31-26-13-6-5-12-25(26)30-27(31)14-9-19-29-28(32)22-10-3-2-4-11-22/h2-6,10-13,15-18H,7-9,14,19-21H2,1H3,(H,29,32).
What are the key properties of N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide?
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 457.57 g/mol, XLogP of 5.27, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16982302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).