N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

C33H32N4O2 — CID 16971693

IUPACN-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C33H32N4O2/c1-24(34-31(38)21-25-17-19-28(20-18-25)27-13-7-4-8-14-27)33-35-29-15-9-10-16-30(29)37(33)23-32(39)36(2)22-26-11-5-3-6-12-26/h3-20,24H,21-23H2,1-2H3,(H,34,38)
InChIKeyWOIUPRISAJEZFV-UHFFFAOYSA-N
MW516.65 g/mol
LogP5.78
Rot. Bonds9

About N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16971693) has the molecular formula C33H32N4O2 and a molecular weight of 516.65 g/mol. Its IUPAC name is N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
PubChem CID16971693
Molecular FormulaC33H32N4O2
Molecular Weight516.65 g/mol
Exact Mass516.25
IUPAC NameN-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C33H32N4O2/c1-24(34-31(38)21-25-17-19-28(20-18-25)27-13-7-4-8-14-27)33-35-29-15-9-10-16-30(29)37(33)23-32(39)36(2)22-26-11-5-3-6-12-26/h3-20,24H,21-23H2,1-2H3,(H,34,38)
InChIKeyWOIUPRISAJEZFV-UHFFFAOYSA-N
XLogP5.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-benzyl-N-methylacetamide
CID 16968219
N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16971531
N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996582
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971556
N-benzyl-2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N-methylacetamide
CID 16972008
N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987485
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972514
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971563
N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971565
N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972820
2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972964

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (CID 16971693) is N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is WOIUPRISAJEZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O2/c1-24(34-31(38)21-25-17-19-28(20-18-25)27-13-7-4-8-14-27)33-35-29-15-9-10-16-30(29)37(33)23-32(39)36(2)22-26-11-5-3-6-12-26/h3-20,24H,21-23H2,1-2H3,(H,34,38).
What are the key properties of N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 516.65 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16971693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).