2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide

C22H18ClN3O2 — CID 17032157

IUPAC2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)Nc1ccccc1
InChIInChI=1S/C22H18ClN3O2/c23-16-10-12-18(13-11-16)28-15-21-25-19-8-4-5-9-20(19)26(21)14-22(27)24-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,27)
InChIKeyLVEITSJPGFGNRE-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.91
Rot. Bonds6

About 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide

2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide (PubChem CID 17032157) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
PubChem CID17032157
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)Nc1ccccc1
InChIInChI=1S/C22H18ClN3O2/c23-16-10-12-18(13-11-16)28-15-21-25-19-8-4-5-9-20(19)26(21)14-22(27)24-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,27)
InChIKeyLVEITSJPGFGNRE-UHFFFAOYSA-N
XLogP4.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 36824061
2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 99139728
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide
CID 78857564
N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031971
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 4234057
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(furan-3-ylmethyl)acetamide
CID 112843170
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 112759773
N-(6-methoxy-3-pyridinyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 8001739
2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide
CID 78773101
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16997147

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide (CID 17032157) is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide is O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)Nc1ccccc1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide?
The InChIKey is LVEITSJPGFGNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c23-16-10-12-18(13-11-16)28-15-21-25-19-8-4-5-9-20(19)26(21)14-22(27)24-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,27).
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide?
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide has a molecular weight of 391.86 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 17032157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).