N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide

C18H16Cl2N4O — CID 46804454

IUPACN-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
SMILESC/C(=N\NC(=O)Cc1nc2ccccc2n1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl2N4O/c1-11(12-7-8-13(19)14(20)9-12)22-23-18(25)10-17-21-15-5-3-4-6-16(15)24(17)2/h3-9H,10H2,1-2H3,(H,23,25)/b22-11+
InChIKeyRQQXIMWHENCAJG-SSDVNMTOSA-N
MW375.26 g/mol
LogP3.96
Rot. Bonds4

About N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide

N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide (PubChem CID 46804454) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
PubChem CID46804454
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC NameN-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
SMILESC/C(=N\NC(=O)Cc1nc2ccccc2n1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl2N4O/c1-11(12-7-8-13(19)14(20)9-12)22-23-18(25)10-17-21-15-5-3-4-6-16(15)24(17)2/h3-9H,10H2,1-2H3,(H,23,25)/b22-11+
InChIKeyRQQXIMWHENCAJG-SSDVNMTOSA-N
XLogP3.96
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 53.96
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-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide
CID 5410906
N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 55352920
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
CID 3636545
4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 3603733
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 71890767
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide
CID 3439287
4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 29171729
N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 7043820
4-[(E)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 18267442
N-[1-(2-chlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 3819255
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 6092245
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide?
The IUPAC name of N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide (CID 46804454) is N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide?
The canonical SMILES for N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide is C/C(=N\NC(=O)Cc1nc2ccccc2n1C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide?
The InChIKey is RQQXIMWHENCAJG-SSDVNMTOSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-11(12-7-8-13(19)14(20)9-12)22-23-18(25)10-17-21-15-5-3-4-6-16(15)24(17)2/h3-9H,10H2,1-2H3,(H,23,25)/b22-11+.
What are the key properties of N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide?
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide has a molecular weight of 375.26 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide is sourced from PubChem (CID 46804454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).