N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide

C20H22ClN3O2 — CID 17006243

IUPACN-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1nc2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C20H22ClN3O2/c1-14(2)20(25)22-13-19-23-16-8-4-5-9-17(16)24(19)11-12-26-18-10-6-3-7-15(18)21/h3-10,14H,11-13H2,1-2H3,(H,22,25)
InChIKeyZDCPUBBSEKAQFF-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.04
Rot. Bonds7

About N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide

N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide (PubChem CID 17006243) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
PubChem CID17006243
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1nc2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C20H22ClN3O2/c1-14(2)20(25)22-13-19-23-16-8-4-5-9-17(16)24(19)11-12-26-18-10-6-3-7-15(18)21/h3-10,14H,11-13H2,1-2H3,(H,22,25)
InChIKeyZDCPUBBSEKAQFF-UHFFFAOYSA-N
XLogP4.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16971451
4-bromo-N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009200
N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974874
2-(2-chlorophenyl)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979284
N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965641
2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide
CID 17006257
N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006888
2-ethyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006400
4-bromo-N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17009226
N-[2-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979182
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17006302
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966556

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide (CID 17006243) is N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1nc2ccccc2n1CCOc1ccccc1Cl.
What is the InChIKey of N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?
The InChIKey is ZDCPUBBSEKAQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-14(2)20(25)22-13-19-23-16-8-4-5-9-17(16)24(19)11-12-26-18-10-6-3-7-15(18)21/h3-10,14H,11-13H2,1-2H3,(H,22,25).
What are the key properties of N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?
N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide has a molecular weight of 371.87 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 17006243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).