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

C26H27N3O2 — CID 16976379

IUPACN-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
SMILESCOc1ccc(Cn2c(CCNC(=O)c3ccc(C)cc3C)nc3ccccc32)cc1
InChIInChI=1S/C26H27N3O2/c1-18-8-13-22(19(2)16-18)26(30)27-15-14-25-28-23-6-4-5-7-24(23)29(25)17-20-9-11-21(31-3)12-10-20/h4-13,16H,14-15,17H2,1-3H3,(H,27,30)
InChIKeyOETVWQFZRFUPNM-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.68
Rot. Bonds7

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

N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide (PubChem CID 16976379) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
PubChem CID16976379
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
SMILESCOc1ccc(Cn2c(CCNC(=O)c3ccc(C)cc3C)nc3ccccc32)cc1
InChIInChI=1S/C26H27N3O2/c1-18-8-13-22(19(2)16-18)26(30)27-15-14-25-28-23-6-4-5-7-24(23)29(25)17-20-9-11-21(31-3)12-10-20/h4-13,16H,14-15,17H2,1-3H3,(H,27,30)
InChIKeyOETVWQFZRFUPNM-UHFFFAOYSA-N
XLogP4.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.68
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-methylbenzamide
CID 16975902
N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976414
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
4-methoxy-N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976709
2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979574
2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976391
4-methoxy-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976706
2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976389
2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989614
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide
CID 16982530
2-(2,5-dimethylphenoxy)-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16986572
4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754980

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide (CID 16976379) is N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide is COc1ccc(Cn2c(CCNC(=O)c3ccc(C)cc3C)nc3ccccc32)cc1.
What is the InChIKey of N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
The InChIKey is OETVWQFZRFUPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18-8-13-22(19(2)16-18)26(30)27-15-14-25-28-23-6-4-5-7-24(23)29(25)17-20-9-11-21(31-3)12-10-20/h4-13,16H,14-15,17H2,1-3H3,(H,27,30).
What are the key properties of N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide has a molecular weight of 413.52 g/mol, XLogP of 4.68, 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]-2,4-dimethylbenzamide is sourced from PubChem (CID 16976379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).