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

C31H29N3O — CID 16979897

IUPACN-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
SMILESCC(c1ccccc1)n1c(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C31H29N3O/c1-23(25-10-4-2-5-11-25)34-29-15-9-8-14-28(29)33-30(34)20-21-32-31(35)22-24-16-18-27(19-17-24)26-12-6-3-7-13-26/h2-19,23H,20-22H2,1H3,(H,32,35)
InChIKeyDWDAFAWFCAOBJL-UHFFFAOYSA-N
MW459.59 g/mol
LogP6.21
Rot. Bonds8

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

N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16979897) has the molecular formula C31H29N3O and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
PubChem CID16979897
Molecular FormulaC31H29N3O
Molecular Weight459.59 g/mol
Exact Mass459.23
IUPAC NameN-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
SMILESCC(c1ccccc1)n1c(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C31H29N3O/c1-23(25-10-4-2-5-11-25)34-29-15-9-8-14-28(29)33-30(34)20-21-32-31(35)22-24-16-18-27(19-17-24)26-12-6-3-7-13-26/h2-19,23H,20-22H2,1H3,(H,32,35)
InChIKeyDWDAFAWFCAOBJL-UHFFFAOYSA-N
XLogP6.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975581
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16980010
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
2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide
CID 16979882
2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986880
2-(4-phenylphenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994330
4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16984574
N-[3-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985868
N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982056
2-(4-chlorophenoxy)-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]acetamide
CID 16986394
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985850

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (CID 16979897) is N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is CC(c1ccccc1)n1c(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is DWDAFAWFCAOBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O/c1-23(25-10-4-2-5-11-25)34-29-15-9-8-14-28(29)33-30(34)20-21-32-31(35)22-24-16-18-27(19-17-24)26-12-6-3-7-13-26/h2-19,23H,20-22H2,1H3,(H,32,35).
What are the key properties of N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 459.59 g/mol, XLogP of 6.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16979897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).