N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide

C24H21N3O4 — CID 17033050

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C24H21N3O4/c1-29-18-9-6-16(7-10-18)24-26-19-4-2-3-5-20(19)27(24)15-23(28)25-17-8-11-21-22(14-17)31-13-12-30-21/h2-11,14H,12-13,15H2,1H3,(H,25,28)
InChIKeyRQEOZBIGNGOMFF-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.12
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide (PubChem CID 17033050) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
PubChem CID17033050
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C24H21N3O4/c1-29-18-9-6-16(7-10-18)24-26-19-4-2-3-5-20(19)27(24)15-23(28)25-17-8-11-21-22(14-17)31-13-12-30-21/h2-11,14H,12-13,15H2,1H3,(H,25,28)
InChIKeyRQEOZBIGNGOMFF-UHFFFAOYSA-N
XLogP4.12
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033048
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17033082
N-(4-methoxyphenyl)-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032844
2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17032137
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370618
N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030397
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide
CID 50755184
N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17030299
N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 1157477
3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129365
N-[1-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17029810

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide (CID 17033050) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide is COc1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide?
The InChIKey is RQEOZBIGNGOMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-29-18-9-6-16(7-10-18)24-26-19-4-2-3-5-20(19)27(24)15-23(28)25-17-8-11-21-22(14-17)31-13-12-30-21/h2-11,14H,12-13,15H2,1H3,(H,25,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide has a molecular weight of 415.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17033050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).