2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide

C24H18Cl4N4O — CID 118729445

IUPAC2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide
SMILESCCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3cccc(Cl)c3Cl)ccc21
InChIInChI=1S/C24H18Cl4N4O/c1-2-10-32-21-9-6-14(24(33)31-29-13-15-4-3-5-18(26)22(15)28)11-20(21)30-23(32)17-8-7-16(25)12-19(17)27/h3-9,11-13H,2,10H2,1H3,(H,31,33)/b29-13+
InChIKeyHGYCFTAAMBTUHV-VFLNYLIXSA-N
MW520.25 g/mol
LogP7.49
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide

2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide (PubChem CID 118729445) has the molecular formula C24H18Cl4N4O and a molecular weight of 520.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide
PubChem CID118729445
Molecular FormulaC24H18Cl4N4O
Molecular Weight520.25 g/mol
Exact Mass518.02
IUPAC Name2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide
SMILESCCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3cccc(Cl)c3Cl)ccc21
InChIInChI=1S/C24H18Cl4N4O/c1-2-10-32-21-9-6-14(24(33)31-29-13-15-4-3-5-18(26)22(15)28)11-20(21)30-23(32)17-8-7-16(25)12-19(17)27/h3-9,11-13H,2,10H2,1H3,(H,31,33)/b29-13+
InChIKeyHGYCFTAAMBTUHV-VFLNYLIXSA-N
XLogP7.49
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.25
LogP ≤ 57.49
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

3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 42991014
2-(2,4-dichlorophenyl)-1-propylbenzimidazole
CID 16987669
1-ethyl-N-[(2-hydroxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2641917
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191
N-[(2-bromophenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 5235917
N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide
CID 764265
2-benzyl-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526681
1-ethyl-2-methyl-N-[(2-nitrophenyl)methylideneamino]benzimidazole-5-carboxamide
CID 2588560
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6018421
3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol
CID 82810464
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide (CID 118729445) is 2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide is CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3cccc(Cl)c3Cl)ccc21.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide?
The InChIKey is HGYCFTAAMBTUHV-VFLNYLIXSA-N. The full InChI is InChI=1S/C24H18Cl4N4O/c1-2-10-32-21-9-6-14(24(33)31-29-13-15-4-3-5-18(26)22(15)28)11-20(21)30-23(32)17-8-7-16(25)12-19(17)27/h3-9,11-13H,2,10H2,1H3,(H,31,33)/b29-13+.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide?
2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide has a molecular weight of 520.25 g/mol, XLogP of 7.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide is sourced from PubChem (CID 118729445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).