(E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide

C16H11Cl2N3O — CID 34329231

IUPAC(E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)Nn1cnc2ccccc21
InChIInChI=1S/C16H11Cl2N3O/c17-12-7-5-11(9-13(12)18)6-8-16(22)20-21-10-19-14-3-1-2-4-15(14)21/h1-10H,(H,20,22)/b8-6+
InChIKeyDPXWNPWAWKZIRP-SOFGYWHQSA-N
MW332.19 g/mol
LogP4.13
Rot. Bonds3

About (E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide

(E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 34329231) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is (E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID34329231
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name(E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)Nn1cnc2ccccc21
InChIInChI=1S/C16H11Cl2N3O/c17-12-7-5-11(9-13(12)18)6-8-16(22)20-21-10-19-14-3-1-2-4-15(14)21/h1-10H,(H,20,22)/b8-6+
InChIKeyDPXWNPWAWKZIRP-SOFGYWHQSA-N
XLogP4.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 34335213
(E)-N-(benzimidazol-1-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 34333135
(E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide
CID 34333370
(E)-N-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 34332967
(E)-N-(benzimidazol-1-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 34332718
(E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide
CID 24669674
N-(benzimidazol-1-yl)acetamide
CID 2318657
N-(benzimidazol-1-yl)-2,4-dichlorobenzamide
CID 17464518
3-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 3403410
(E)-N-(benzimidazol-1-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 34326933
N-(benzimidazol-1-yl)-3-oxobutanamide
CID 87961400
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079

Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide (CID 34329231) is (E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nn1cnc2ccccc21.
What is the InChIKey of (E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is DPXWNPWAWKZIRP-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c17-12-7-5-11(9-13(12)18)6-8-16(22)20-21-10-19-14-3-1-2-4-15(14)21/h1-10H,(H,20,22)/b8-6+.
What are the key properties of (E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide?
(E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 332.19 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 34329231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).