4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-3-ethoxybenzamide

C23H18Cl3N3O2 — CID 44535365

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-3-ethoxybenzamide
SMILESCCOc1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)ccc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C23H18Cl3N3O2/c1-2-31-21-10-14(23(30)27-12-13-3-7-17(25)18(26)9-13)4-6-16(21)22-28-19-8-5-15(24)11-20(19)29-22/h3-11H,2,12H2,1H3,(H,27,30)(H,28,29)
InChIKeyUTTGJZRKCDQCDK-UHFFFAOYSA-N
MW474.78 g/mol
LogP6.52
Rot. Bonds6

About 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-3-ethoxybenzamide

4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-3-ethoxybenzamide (PubChem CID 44535365) has the molecular formula C23H18Cl3N3O2 and a molecular weight of 474.78 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-3-ethoxybenzamide.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-3-ethoxybenzamide
PubChem CID44535365
Molecular FormulaC23H18Cl3N3O2
Molecular Weight474.78 g/mol
Exact Mass473.05
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-3-ethoxybenzamide
SMILESCCOc1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)ccc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C23H18Cl3N3O2/c1-2-31-21-10-14(23(30)27-12-13-3-7-17(25)18(26)9-13)4-6-16(21)22-28-19-8-5-15(24)11-20(19)29-22/h3-11H,2,12H2,1H3,(H,27,30)(H,28,29)
InChIKeyUTTGJZRKCDQCDK-UHFFFAOYSA-N
XLogP6.52
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.78
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-3-ethoxybenzamide?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-3-ethoxybenzamide (CID 44535365) is 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-3-ethoxybenzamide.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-3-ethoxybenzamide?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-3-ethoxybenzamide is CCOc1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)ccc1-c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-3-ethoxybenzamide?
The InChIKey is UTTGJZRKCDQCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3N3O2/c1-2-31-21-10-14(23(30)27-12-13-3-7-17(25)18(26)9-13)4-6-16(21)22-28-19-8-5-15(24)11-20(19)29-22/h3-11H,2,12H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-3-ethoxybenzamide?
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-3-ethoxybenzamide has a molecular weight of 474.78 g/mol, XLogP of 6.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-3-ethoxybenzamide is sourced from PubChem (CID 44535365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).