N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide

C23H20ClN3O3 — CID 1294201

IUPACN-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H20ClN3O3/c1-29-18-10-6-16(7-11-18)22(28)26-23-25-20-4-2-3-5-21(20)27(23)14-15-30-19-12-8-17(24)9-13-19/h2-13H,14-15H2,1H3,(H,25,26,28)
InChIKeyGHSYHKSSAWXMRB-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.03
Rot. Bonds7

About N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide

N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide (PubChem CID 1294201) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide
PubChem CID1294201
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC NameN-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H20ClN3O3/c1-29-18-10-6-16(7-11-18)22(28)26-23-25-20-4-2-3-5-21(20)27(23)14-15-30-19-12-8-17(24)9-13-19/h2-13H,14-15H2,1H3,(H,25,26,28)
InChIKeyGHSYHKSSAWXMRB-UHFFFAOYSA-N
XLogP5.03
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide (CID 1294201) is N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide?
The InChIKey is GHSYHKSSAWXMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-29-18-10-6-16(7-11-18)22(28)26-23-25-20-4-2-3-5-21(20)27(23)14-15-30-19-12-8-17(24)9-13-19/h2-13H,14-15H2,1H3,(H,25,26,28).
What are the key properties of N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide?
N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide has a molecular weight of 421.88 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 1294201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).