N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide

C29H33N3O3 — CID 17009738

IUPACN-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
SMILESCCc1ccc(OCCCCn2c(C(C)NC(=O)c3ccc(OC)cc3)nc3ccccc32)cc1
InChIInChI=1S/C29H33N3O3/c1-4-22-11-15-25(16-12-22)35-20-8-7-19-32-27-10-6-5-9-26(27)31-28(32)21(2)30-29(33)23-13-17-24(34-3)18-14-23/h5-6,9-18,21H,4,7-8,19-20H2,1-3H3,(H,30,33)
InChIKeyFMPJGOMAUPDLAF-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.96
Rot. Bonds11

About N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide

N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide (PubChem CID 17009738) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
PubChem CID17009738
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
SMILESCCc1ccc(OCCCCn2c(C(C)NC(=O)c3ccc(OC)cc3)nc3ccccc32)cc1
InChIInChI=1S/C29H33N3O3/c1-4-22-11-15-25(16-12-22)35-20-8-7-19-32-27-10-6-5-9-26(27)31-28(32)21(2)30-29(33)23-13-17-24(34-3)18-14-23/h5-6,9-18,21H,4,7-8,19-20H2,1-3H3,(H,30,33)
InChIKeyFMPJGOMAUPDLAF-UHFFFAOYSA-N
XLogP5.96
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009740
4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009369
N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967125
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 17009628
4-methoxy-N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009703
4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009725
3-chloro-N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010504
N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969251
N-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009735
4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009690
4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967236
2-ethyl-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969122

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide (CID 17009738) is N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide is CCc1ccc(OCCCCn2c(C(C)NC(=O)c3ccc(OC)cc3)nc3ccccc32)cc1.
What is the InChIKey of N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide?
The InChIKey is FMPJGOMAUPDLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-4-22-11-15-25(16-12-22)35-20-8-7-19-32-27-10-6-5-9-26(27)31-28(32)21(2)30-29(33)23-13-17-24(34-3)18-14-23/h5-6,9-18,21H,4,7-8,19-20H2,1-3H3,(H,30,33).
What are the key properties of N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide?
N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide has a molecular weight of 471.60 g/mol, XLogP of 5.96, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 17009738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).