2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide

C22H24ClN3O2 — CID 112816966

IUPAC2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)C1CC1
InChIInChI=1S/C22H24ClN3O2/c1-15(2)26(17-9-10-17)22(27)13-25-20-6-4-3-5-19(20)24-21(25)14-28-18-11-7-16(23)8-12-18/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3
InChIKeyFIRRGAARHWJRBJ-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.67
Rot. Bonds7

About 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide

2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide (PubChem CID 112816966) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide
PubChem CID112816966
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)C1CC1
InChIInChI=1S/C22H24ClN3O2/c1-15(2)26(17-9-10-17)22(27)13-25-20-6-4-3-5-19(20)24-21(25)14-28-18-11-7-16(23)8-12-18/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3
InChIKeyFIRRGAARHWJRBJ-UHFFFAOYSA-N
XLogP4.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide
CID 112803907
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16997147
N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16998698
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide
CID 78857564
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
2-[2-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzimidazol-1-yl]-N,N-dicyclohexylacetamide
CID 16971223
N-(3-acetamidopropyl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-methylacetamide
CID 86967889
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone
CID 119380723
2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide
CID 78773101
N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16998435
N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide
CID 119551273

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide (CID 112816966) is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide is CC(C)N(C(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)C1CC1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide?
The InChIKey is FIRRGAARHWJRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-15(2)26(17-9-10-17)22(27)13-25-20-6-4-3-5-19(20)24-21(25)14-28-18-11-7-16(23)8-12-18/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3.
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide?
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide has a molecular weight of 397.91 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 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-cyclopropyl-N-propan-2-ylacetamide is sourced from PubChem (CID 112816966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).