N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

C31H35N3O — CID 16979922

IUPACN-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCCc1nc2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C31H35N3O/c35-31(23-25-15-17-27(18-16-25)26-11-5-2-6-12-26)32-21-19-30-33-28-13-7-8-14-29(28)34(30)22-20-24-9-3-1-4-10-24/h2,5-8,11-18,24H,1,3-4,9-10,19-23H2,(H,32,35)
InChIKeyVSLZXLVOHCGEQK-UHFFFAOYSA-N
MW465.64 g/mol
LogP6.58
Rot. Bonds9

About N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16979922) has the molecular formula C31H35N3O and a molecular weight of 465.64 g/mol. Its IUPAC name is N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
PubChem CID16979922
Molecular FormulaC31H35N3O
Molecular Weight465.64 g/mol
Exact Mass465.28
IUPAC NameN-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCCc1nc2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C31H35N3O/c35-31(23-25-15-17-27(18-16-25)26-11-5-2-6-12-26)32-21-19-30-33-28-13-7-8-14-29(28)34(30)22-20-24-9-3-1-4-10-24/h2,5-8,11-18,24H,1,3-4,9-10,19-23H2,(H,32,35)
InChIKeyVSLZXLVOHCGEQK-UHFFFAOYSA-N
XLogP6.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 955337
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979893
N-[2-(1-nonylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979890
N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16980024
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964275
2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide
CID 16979882
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970632
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979947
N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979975
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985842
N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985848
N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966057

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (CID 16979922) is N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCCc1nc2ccccc2n1CCC1CCCCC1.
What is the InChIKey of N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is VSLZXLVOHCGEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O/c35-31(23-25-15-17-27(18-16-25)26-11-5-2-6-12-26)32-21-19-30-33-28-13-7-8-14-29(28)34(30)22-20-24-9-3-1-4-10-24/h2,5-8,11-18,24H,1,3-4,9-10,19-23H2,(H,32,35).
What are the key properties of N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 465.64 g/mol, XLogP of 6.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16979922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).