N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide

C26H26ClN3O — CID 16995805

IUPACN-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1c(Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C26H26ClN3O/c1-19(2)29(17-20-10-4-3-5-11-20)26(31)18-30-24-15-9-8-14-23(24)28-25(30)16-21-12-6-7-13-22(21)27/h3-15,19H,16-18H2,1-2H3
InChIKeyQSKCRVDKFUNCLK-UHFFFAOYSA-N
MW431.97 g/mol
LogP5.72
Rot. Bonds7

About N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide

N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 16995805) has the molecular formula C26H26ClN3O and a molecular weight of 431.97 g/mol. Its IUPAC name is N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID16995805
Molecular FormulaC26H26ClN3O
Molecular Weight431.97 g/mol
Exact Mass431.18
IUPAC NameN-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1c(Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C26H26ClN3O/c1-19(2)29(17-20-10-4-3-5-11-20)26(31)18-30-24-15-9-8-14-23(24)28-25(30)16-21-12-6-7-13-22(21)27/h3-15,19H,16-18H2,1-2H3
InChIKeyQSKCRVDKFUNCLK-UHFFFAOYSA-N
XLogP5.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.97
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17006337
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-benzyl-N-propan-2-ylacetamide
CID 17006031
N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 16968992
N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17001117
N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17006654
N-benzyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 16999447
N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide
CID 17008981
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985985
(Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987176
2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole
CID 16995695
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981601
N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977725

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide (CID 16995805) is N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)Cn1c(Cc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is QSKCRVDKFUNCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O/c1-19(2)29(17-20-10-4-3-5-11-20)26(31)18-30-24-15-9-8-14-23(24)28-25(30)16-21-12-6-7-13-22(21)27/h3-15,19H,16-18H2,1-2H3.
What are the key properties of N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 431.97 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 16995805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).