2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide

C22H16Cl2N4O — CID 57333394

IUPAC2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
SMILESO=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2N4O/c23-17-9-5-15(6-10-17)13-25-27-21(29)14-28-20-4-2-1-3-19(20)26-22(28)16-7-11-18(24)12-8-16/h1-13H,14H2,(H,27,29)/b25-13-
InChIKeyBQJIGUJQKOTYEX-MXAYSNPKSA-N
MW423.30 g/mol
LogP5.16
Rot. Bonds5

About 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide (PubChem CID 57333394) has the molecular formula C22H16Cl2N4O and a molecular weight of 423.30 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
PubChem CID57333394
Molecular FormulaC22H16Cl2N4O
Molecular Weight423.30 g/mol
Exact Mass422.07
IUPAC Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
SMILESO=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2N4O/c23-17-9-5-15(6-10-17)13-25-27-21(29)14-28-20-4-2-1-3-19(20)26-22(28)16-7-11-18(24)12-8-16/h1-13H,14H2,(H,27,29)/b25-13-
InChIKeyBQJIGUJQKOTYEX-MXAYSNPKSA-N
XLogP5.16
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.30
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 17033124
N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 3673852
2-(benzotriazol-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 689343
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17033143
2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 172676394
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 84572790
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121431
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9121382
N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 70689683
N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5165448
N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide
CID 17080178

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide (CID 57333394) is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide is O=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)N/N=C\c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide?
The InChIKey is BQJIGUJQKOTYEX-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H16Cl2N4O/c23-17-9-5-15(6-10-17)13-25-27-21(29)14-28-20-4-2-1-3-19(20)26-22(28)16-7-11-18(24)12-8-16/h1-13H,14H2,(H,27,29)/b25-13-.
What are the key properties of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide?
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide has a molecular weight of 423.30 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 57333394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).