N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide

C25H25N3O2 — CID 16975902

IUPACN-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
SMILESCOc1ccc(Cn2c(CCNC(=O)c3ccccc3C)nc3ccccc32)cc1
InChIInChI=1S/C25H25N3O2/c1-18-7-3-4-8-21(18)25(29)26-16-15-24-27-22-9-5-6-10-23(22)28(24)17-19-11-13-20(30-2)14-12-19/h3-14H,15-17H2,1-2H3,(H,26,29)
InChIKeyWOQIGCRPJBXPHU-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.37
Rot. Bonds7

About N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide

N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide (PubChem CID 16975902) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
PubChem CID16975902
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
SMILESCOc1ccc(Cn2c(CCNC(=O)c3ccccc3C)nc3ccccc32)cc1
InChIInChI=1S/C25H25N3O2/c1-18-7-3-4-8-21(18)25(29)26-16-15-24-27-22-9-5-6-10-23(22)28(24)17-19-11-13-20(30-2)14-12-19/h3-14H,15-17H2,1-2H3,(H,26,29)
InChIKeyWOQIGCRPJBXPHU-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

N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976379
2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979574
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975906
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982377
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975895
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylbenzamide
CID 16989465
4-methoxy-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976706
4-methoxy-N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976709
ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976016
4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984748
N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975960

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide (CID 16975902) is N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide is COc1ccc(Cn2c(CCNC(=O)c3ccccc3C)nc3ccccc32)cc1.
What is the InChIKey of N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The InChIKey is WOQIGCRPJBXPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18-7-3-4-8-21(18)25(29)26-16-15-24-27-22-9-5-6-10-23(22)28(24)17-19-11-13-20(30-2)14-12-19/h3-14H,15-17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
N-[2-[1-[(4-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-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 16975902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).