N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide

C25H25N3O2 — CID 16975906

IUPACN-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
SMILESCOc1ccccc1Cn1c(CCNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C25H25N3O2/c1-18-9-3-5-11-20(18)25(29)26-16-15-24-27-21-12-6-7-13-22(21)28(24)17-19-10-4-8-14-23(19)30-2/h3-14H,15-17H2,1-2H3,(H,26,29)
InChIKeyZQBRRWRYWOPXDH-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.37
Rot. Bonds7

About N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide

N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide (PubChem CID 16975906) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
PubChem CID16975906
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
SMILESCOc1ccccc1Cn1c(CCNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C25H25N3O2/c1-18-9-3-5-11-20(18)25(29)26-16-15-24-27-21-12-6-7-13-22(21)28(24)17-19-10-4-8-14-23(19)30-2/h3-14H,15-17H2,1-2H3,(H,26,29)
InChIKeyZQBRRWRYWOPXDH-UHFFFAOYSA-N
XLogP4.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990100
N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975902
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975895
4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977471
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975472
2-methoxy-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976230
2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978639
2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979574
methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976330
ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976016
4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991253
2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983003

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide (CID 16975906) is N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide is COc1ccccc1Cn1c(CCNC(=O)c2ccccc2C)nc2ccccc21.
What is the InChIKey of N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The InChIKey is ZQBRRWRYWOPXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18-9-3-5-11-20(18)25(29)26-16-15-24-27-21-12-6-7-13-22(21)28(24)17-19-10-4-8-14-23(19)30-2/h3-14H,15-17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide has a molecular weight of 399.49 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 16975906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).