2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide

C26H23N3O — CID 16979882

IUPAC2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide
SMILESC#CCn1c(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C26H23N3O/c1-2-18-29-24-11-7-6-10-23(24)28-25(29)16-17-27-26(30)19-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h1,3-15H,16-19H2,(H,27,30)
InChIKeyQVCBUDRYNSLWNW-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.24
Rot. Bonds7

About 2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide

2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide (PubChem CID 16979882) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide
PubChem CID16979882
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide
SMILESC#CCn1c(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C26H23N3O/c1-2-18-29-24-11-7-6-10-23(24)28-25(29)16-17-27-26(30)19-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h1,3-15H,16-19H2,(H,27,30)
InChIKeyQVCBUDRYNSLWNW-UHFFFAOYSA-N
XLogP4.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide
CID 16993972
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985850
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16980010
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979922
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994310
N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979975
2-(4-chlorophenoxy)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide
CID 16978766
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-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978942

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide (CID 16979882) is 2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide is C#CCn1c(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide?
The InChIKey is QVCBUDRYNSLWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-2-18-29-24-11-7-6-10-23(24)28-25(29)16-17-27-26(30)19-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h1,3-15H,16-19H2,(H,27,30).
What are the key properties of 2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide?
2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-N-[2-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 16979882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).