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

C28H31N3O3 — CID 16976400

IUPACN-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
SMILESCCOc1ccccc1OCCn1c(CCNC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C28H31N3O3/c1-4-33-25-11-7-8-12-26(25)34-18-17-31-24-10-6-5-9-23(24)30-27(31)15-16-29-28(32)22-14-13-20(2)19-21(22)3/h5-14,19H,4,15-18H2,1-3H3,(H,29,32)
InChIKeyNSKCMVCGULCWQR-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.10
Rot. Bonds10

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

N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide (PubChem CID 16976400) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
PubChem CID16976400
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
SMILESCCOc1ccccc1OCCn1c(CCNC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C28H31N3O3/c1-4-33-25-11-7-8-12-26(25)34-18-17-31-24-10-6-5-9-23(24)30-27(31)15-16-29-28(32)22-14-13-20(2)19-21(22)3/h5-14,19H,4,15-18H2,1-3H3,(H,29,32)
InChIKeyNSKCMVCGULCWQR-UHFFFAOYSA-N
XLogP5.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976391
2,4-dimethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982559
2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989642
2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978656
N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976414
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976429
2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982579
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17006993
2,4-dimethyl-N-[3-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982560
2,4-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989674
N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989701
2-methoxy-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976230

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide (CID 16976400) is N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide is CCOc1ccccc1OCCn1c(CCNC(=O)c2ccc(C)cc2C)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
The InChIKey is NSKCMVCGULCWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-4-33-25-11-7-8-12-26(25)34-18-17-31-24-10-6-5-9-23(24)30-27(31)15-16-29-28(32)22-14-13-20(2)19-21(22)3/h5-14,19H,4,15-18H2,1-3H3,(H,29,32).
What are the key properties of N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide has a molecular weight of 457.57 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 16976400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).