N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide

C27H29N3O3 — CID 17010137

IUPACN-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)c2nc3ccccc3n2CCOc2cccc(C)c2C)c1
InChIInChI=1S/C27H29N3O3/c1-18-9-7-14-25(19(18)2)33-16-15-30-24-13-6-5-12-23(24)29-26(30)20(3)28-27(31)21-10-8-11-22(17-21)32-4/h5-14,17,20H,15-16H2,1-4H3,(H,28,31)
InChIKeyODMYDXOUXGIOLV-UHFFFAOYSA-N
MW443.55 g/mol
LogP5.23
Rot. Bonds8

About N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide

N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide (PubChem CID 17010137) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
PubChem CID17010137
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)c2nc3ccccc3n2CCOc2cccc(C)c2C)c1
InChIInChI=1S/C27H29N3O3/c1-18-9-7-14-25(19(18)2)33-16-15-30-24-13-6-5-12-23(24)29-26(30)20(3)28-27(31)21-10-8-11-22(17-21)32-4/h5-14,17,20H,15-16H2,1-4H3,(H,28,31)
InChIKeyODMYDXOUXGIOLV-UHFFFAOYSA-N
XLogP5.23
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17010214
3,4,5-trimethoxy-N-[1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009820
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010157
4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009690
N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010101
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010098
4-bromo-N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009407
N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967407
N-[1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010184
N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971603
3-chloro-N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010465
3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009819

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide (CID 17010137) is N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NC(C)c2nc3ccccc3n2CCOc2cccc(C)c2C)c1.
What is the InChIKey of N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide?
The InChIKey is ODMYDXOUXGIOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-18-9-7-14-25(19(18)2)33-16-15-30-24-13-6-5-12-23(24)29-26(30)20(3)28-27(31)21-10-8-11-22(17-21)32-4/h5-14,17,20H,15-16H2,1-4H3,(H,28,31).
What are the key properties of N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide?
N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide has a molecular weight of 443.55 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 17010137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).