3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide

C29H33N3O5 — CID 17010037

IUPAC3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCCOc2ccccc2OC)cc1OC
InChIInChI=1S/C29H33N3O5/c1-20(30-29(33)21-15-16-25(35-3)27(19-21)36-4)28-31-22-11-5-6-12-23(22)32(28)17-9-10-18-37-26-14-8-7-13-24(26)34-2/h5-8,11-16,19-20H,9-10,17-18H2,1-4H3,(H,30,33)
InChIKeyUZTKNOCIZPMLNK-UHFFFAOYSA-N
MW503.60 g/mol
LogP5.41
Rot. Bonds12

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

3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17010037) has the molecular formula C29H33N3O5 and a molecular weight of 503.60 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17010037
Molecular FormulaC29H33N3O5
Molecular Weight503.60 g/mol
Exact Mass503.24
IUPAC Name3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCCOc2ccccc2OC)cc1OC
InChIInChI=1S/C29H33N3O5/c1-20(30-29(33)21-15-16-25(35-3)27(19-21)36-4)28-31-22-11-5-6-12-23(22)32(28)17-9-10-18-37-26-14-8-7-13-24(26)34-2/h5-8,11-16,19-20H,9-10,17-18H2,1-4H3,(H,30,33)
InChIKeyUZTKNOCIZPMLNK-UHFFFAOYSA-N
XLogP5.41
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.60
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967274
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 17009937
3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 17009941
2-methoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16968045
4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009725
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973684
4-bromo-N-[1-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009416
4-chloro-N-[1-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009568
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967268
4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009690
3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009968
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-3,4-dimethoxybenzamide
CID 17009932

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide (CID 17010037) is 3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide is COc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCCOc2ccccc2OC)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is UZTKNOCIZPMLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O5/c1-20(30-29(33)21-15-16-25(35-3)27(19-21)36-4)28-31-22-11-5-6-12-23(22)32(28)17-9-10-18-37-26-14-8-7-13-24(26)34-2/h5-8,11-16,19-20H,9-10,17-18H2,1-4H3,(H,30,33).
What are the key properties of 3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 503.60 g/mol, XLogP of 5.41, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17010037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).