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

C25H22ClN3O4 — CID 17032137

IUPAC2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCc1cc(OCc2nc3ccccc3n2CC(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl
InChIInChI=1S/C25H22ClN3O4/c1-16-12-18(7-8-19(16)26)33-15-24-28-20-4-2-3-5-21(20)29(24)14-25(30)27-17-6-9-22-23(13-17)32-11-10-31-22/h2-9,12-13H,10-11,14-15H2,1H3,(H,27,30)
InChIKeyDQDUBGXXAZTSIB-UHFFFAOYSA-N
MW463.92 g/mol
LogP4.99
Rot. Bonds6

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

2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 17032137) has the molecular formula C25H22ClN3O4 and a molecular weight of 463.92 g/mol. Its IUPAC name is 2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID17032137
Molecular FormulaC25H22ClN3O4
Molecular Weight463.92 g/mol
Exact Mass463.13
IUPAC Name2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCc1cc(OCc2nc3ccccc3n2CC(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl
InChIInChI=1S/C25H22ClN3O4/c1-16-12-18(7-8-19(16)26)33-15-24-28-20-4-2-3-5-21(20)29(24)14-25(30)27-17-6-9-22-23(13-17)32-11-10-31-22/h2-9,12-13H,10-11,14-15H2,1H3,(H,27,30)
InChIKeyDQDUBGXXAZTSIB-UHFFFAOYSA-N
XLogP4.99
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.92
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide
CID 17032112
2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17032131
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033050
2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 17032106
N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17030299
N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031971
N-[3-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide
CID 17031031
N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030397
N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032304
4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030933
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17032167

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 17032137) is 2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is Cc1cc(OCc2nc3ccccc3n2CC(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl.
What is the InChIKey of 2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is DQDUBGXXAZTSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O4/c1-16-12-18(7-8-19(16)26)33-15-24-28-20-4-2-3-5-21(20)29(24)14-25(30)27-17-6-9-22-23(13-17)32-11-10-31-22/h2-9,12-13H,10-11,14-15H2,1H3,(H,27,30).
What are the key properties of 2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 463.92 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 17032137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).