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

C18H18ClN3O — CID 110445551

IUPAC2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide
SMILESCC(C)(NC(=O)Cn1cnc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O/c1-18(2,13-6-5-7-14(19)10-13)21-17(23)11-22-12-20-15-8-3-4-9-16(15)22/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeySPSWAIXBJMVTMN-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.74
Rot. Bonds4

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

2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide (PubChem CID 110445551) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide
PubChem CID110445551
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC Name2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide
SMILESCC(C)(NC(=O)Cn1cnc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O/c1-18(2,13-6-5-7-14(19)10-13)21-17(23)11-22-12-20-15-8-3-4-9-16(15)22/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeySPSWAIXBJMVTMN-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65315452
2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841
2-(benzimidazol-1-yl)-N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16661440
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 9121198
2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 6900476
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326
4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 120563069
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2408717

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide (CID 110445551) is 2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide is CC(C)(NC(=O)Cn1cnc2ccccc21)c1cccc(Cl)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide?
The InChIKey is SPSWAIXBJMVTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-18(2,13-6-5-7-14(19)10-13)21-17(23)11-22-12-20-15-8-3-4-9-16(15)22/h3-10,12H,11H2,1-2H3,(H,21,23).
What are the key properties of 2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide?
2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide has a molecular weight of 327.81 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 110445551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).