N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide

C23H20ClN3O2 — CID 17031971

IUPACN-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
SMILESCc1cccc(OCc2nc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C23H20ClN3O2/c1-16-6-4-9-19(12-16)29-15-22-26-20-10-2-3-11-21(20)27(22)14-23(28)25-18-8-5-7-17(24)13-18/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyVETSXKGOUSYEPF-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.22
Rot. Bonds6

About N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide

N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide (PubChem CID 17031971) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
PubChem CID17031971
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC NameN-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
SMILESCc1cccc(OCc2nc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C23H20ClN3O2/c1-16-6-4-9-19(12-16)29-15-22-26-20-10-2-3-11-21(20)27(22)14-23(28)25-18-8-5-7-17(24)13-18/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyVETSXKGOUSYEPF-UHFFFAOYSA-N
XLogP5.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032304
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17032167
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031952
N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 36824061
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17031925
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 26124824
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028922
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 16997962
N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 60532359

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide (CID 17031971) is N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide is Cc1cccc(OCc2nc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is VETSXKGOUSYEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-16-6-4-9-19(12-16)29-15-22-26-20-10-2-3-11-21(20)27(22)14-23(28)25-18-8-5-7-17(24)13-18/h2-13H,14-15H2,1H3,(H,25,28).
What are the key properties of N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide?
N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 405.89 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17031971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).