2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide

C22H26ClN3O — CID 16972996

IUPAC2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCCC(C)Cn1c(C(C)NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C22H26ClN3O/c1-4-15(2)14-26-20-8-6-5-7-19(20)25-22(26)16(3)24-21(27)13-17-9-11-18(23)12-10-17/h5-12,15-16H,4,13-14H2,1-3H3,(H,24,27)
InChIKeyONXORCDUJOXDQN-UHFFFAOYSA-N
MW383.92 g/mol
LogP5.16
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide

2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16972996) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide
PubChem CID16972996
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCCC(C)Cn1c(C(C)NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C22H26ClN3O/c1-4-15(2)14-26-20-8-6-5-7-19(20)25-22(26)16(3)24-21(27)13-17-9-11-18(23)12-10-17/h5-12,15-16H,4,13-14H2,1-3H3,(H,24,27)
InChIKeyONXORCDUJOXDQN-UHFFFAOYSA-N
XLogP5.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.92
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248
2-(4-chlorophenyl)-N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973092
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972817
2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973036
2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967470
2-(4-chlorophenyl)-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973111
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973009
N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972536
N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972535
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968587

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide (CID 16972996) is 2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide is CCC(C)Cn1c(C(C)NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is ONXORCDUJOXDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-4-15(2)14-26-20-8-6-5-7-19(20)25-22(26)16(3)24-21(27)13-17-9-11-18(23)12-10-17/h5-12,15-16H,4,13-14H2,1-3H3,(H,24,27).
What are the key properties of 2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide?
2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 383.92 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16972996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).