4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide

C27H29N3O3 — CID 17009690

IUPAC4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCOc2ccccc2C)cc1
InChIInChI=1S/C27H29N3O3/c1-19-9-4-7-12-25(19)33-18-8-17-30-24-11-6-5-10-23(24)29-26(30)20(2)28-27(31)21-13-15-22(32-3)16-14-21/h4-7,9-16,20H,8,17-18H2,1-3H3,(H,28,31)
InChIKeyRJBHOIJVGXPSIJ-UHFFFAOYSA-N
MW443.55 g/mol
LogP5.31
Rot. Bonds9

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

4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17009690) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17009690
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCOc2ccccc2C)cc1
InChIInChI=1S/C27H29N3O3/c1-19-9-4-7-12-25(19)33-18-8-17-30-24-11-6-5-10-23(24)29-26(30)20(2)28-27(31)21-13-15-22(32-3)16-14-21/h4-7,9-16,20H,8,17-18H2,1-3H3,(H,28,31)
InChIKeyRJBHOIJVGXPSIJ-UHFFFAOYSA-N
XLogP5.31
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.31
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-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967407
N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009723
4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009725
4-methoxy-N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009703
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967274
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963819
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 17009628
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968624
3,4,5-trimethoxy-N-[1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009820
2-chloro-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967691
N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009740
N-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009735

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide (CID 17009690) is 4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide is COc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCOc2ccccc2C)cc1.
What is the InChIKey of 4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is RJBHOIJVGXPSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-19-9-4-7-12-25(19)33-18-8-17-30-24-11-6-5-10-23(24)29-26(30)20(2)28-27(31)21-13-15-22(32-3)16-14-21/h4-7,9-16,20H,8,17-18H2,1-3H3,(H,28,31).
What are the key properties of 4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide?
4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17009690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).