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

C26H27N3O2 — CID 17006840

IUPACN-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
SMILESCCc1ccc(OCCn2c(CNC(=O)c3ccccc3C)nc3ccccc32)cc1
InChIInChI=1S/C26H27N3O2/c1-3-20-12-14-21(15-13-20)31-17-16-29-24-11-7-6-10-23(24)28-25(29)18-27-26(30)22-9-5-4-8-19(22)2/h4-15H,3,16-18H2,1-2H3,(H,27,30)
InChIKeyLDKLKCIULQYQDR-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.92
Rot. Bonds8

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

N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide (PubChem CID 17006840) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
PubChem CID17006840
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
SMILESCCc1ccc(OCCn2c(CNC(=O)c3ccccc3C)nc3ccccc32)cc1
InChIInChI=1S/C26H27N3O2/c1-3-20-12-14-21(15-13-20)31-17-16-29-24-11-7-6-10-23(24)28-25(29)18-27-26(30)22-9-5-4-8-19(22)2/h4-15H,3,16-18H2,1-2H3,(H,27,30)
InChIKeyLDKLKCIULQYQDR-UHFFFAOYSA-N
XLogP4.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007826
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007688
N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide
CID 17006780
2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 17006783
N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974172
N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006880
2-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17006889
N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966597
N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006891
2-fluoro-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17007775
2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007092
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973845

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide (CID 17006840) is N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide is CCc1ccc(OCCn2c(CNC(=O)c3ccccc3C)nc3ccccc32)cc1.
What is the InChIKey of N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide?
The InChIKey is LDKLKCIULQYQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-3-20-12-14-21(15-13-20)31-17-16-29-24-11-7-6-10-23(24)28-25(29)18-27-26(30)22-9-5-4-8-19(22)2/h4-15H,3,16-18H2,1-2H3,(H,27,30).
What are the key properties of N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide?
N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide has a molecular weight of 413.52 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 17006840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).