N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide

C21H16ClN3O — CID 17032699

IUPACN-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN3O/c22-16-10-12-17(13-11-16)23-20(26)14-25-19-9-5-4-8-18(19)24-21(25)15-6-2-1-3-7-15/h1-13H,14H2,(H,23,26)
InChIKeyASYGQDSJBNRVJA-UHFFFAOYSA-N
MW361.83 g/mol
LogP5.00
Rot. Bonds4

About N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide

N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide (PubChem CID 17032699) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
PubChem CID17032699
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC NameN-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN3O/c22-16-10-12-17(13-11-16)23-20(26)14-25-19-9-5-4-8-18(19)24-21(25)15-6-2-1-3-7-15/h1-13H,14H2,(H,23,26)
InChIKeyASYGQDSJBNRVJA-UHFFFAOYSA-N
XLogP5.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide (CID 17032699) is N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide is O=C(Cn1c(-c2ccccc2)nc2ccccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide?
The InChIKey is ASYGQDSJBNRVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c22-16-10-12-17(13-11-16)23-20(26)14-25-19-9-5-4-8-18(19)24-21(25)15-6-2-1-3-7-15/h1-13H,14H2,(H,23,26).
What are the key properties of N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide?
N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide has a molecular weight of 361.83 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 17032699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).