N-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide

C24H23ClN6O3 — CID 89154478

IUPACN-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide
SMILESCC(=O)NCCN(C=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Cl)cc2)n3C)ccn1
InChIInChI=1S/C24H23ClN6O3/c1-16(33)26-11-12-31(15-32)23-14-20(9-10-27-23)34-19-7-8-22-21(13-19)29-24(30(22)2)28-18-5-3-17(25)4-6-18/h3-10,13-15H,11-12H2,1-2H3,(H,26,33)(H,28,29)
InChIKeyNKBPOTDIQCIOCG-UHFFFAOYSA-N
MW478.94 g/mol
LogP4.26
Rot. Bonds9

About N-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide

N-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide (PubChem CID 89154478) has the molecular formula C24H23ClN6O3 and a molecular weight of 478.94 g/mol. Its IUPAC name is N-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide
PubChem CID89154478
Molecular FormulaC24H23ClN6O3
Molecular Weight478.94 g/mol
Exact Mass478.15
IUPAC NameN-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide
SMILESCC(=O)NCCN(C=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Cl)cc2)n3C)ccn1
InChIInChI=1S/C24H23ClN6O3/c1-16(33)26-11-12-31(15-32)23-14-20(9-10-27-23)34-19-7-8-22-21(13-19)29-24(30(22)2)28-18-5-3-17(25)4-6-18/h3-10,13-15H,11-12H2,1-2H3,(H,26,33)(H,28,29)
InChIKeyNKBPOTDIQCIOCG-UHFFFAOYSA-N
XLogP4.26
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide (CID 89154478) is N-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide is CC(=O)NCCN(C=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Cl)cc2)n3C)ccn1.
What is the InChIKey of N-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide?
The InChIKey is NKBPOTDIQCIOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O3/c1-16(33)26-11-12-31(15-32)23-14-20(9-10-27-23)34-19-7-8-22-21(13-19)29-24(30(22)2)28-18-5-3-17(25)4-6-18/h3-10,13-15H,11-12H2,1-2H3,(H,26,33)(H,28,29).
What are the key properties of N-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide?
N-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide has a molecular weight of 478.94 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide is sourced from PubChem (CID 89154478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).