4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

C26H23ClN4O4 — CID 17030933

About 4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17030933) has the molecular formula C26H23ClN4O4 and a molecular weight of 490.95 g/mol. Its IUPAC name is 4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
• PubChem CID: 17030933
• Molecular Formula: C26H23ClN4O4
• Molecular Weight: 490.95 g/mol
• Exact Mass: 490.14
• IUPAC Name: 4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
• SMILES: O=C(Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C26H23ClN4O4/c27-18-7-5-17(6-8-18)26(33)28-12-11-24-30-20-3-1-2-4-21(20)31(24)16-25(32)29-19-9-10-22-23(15-19)35-14-13-34-22/h1-10,15H,11-14,16H2,(H,28,33)(H,29,32)
• InChIKey: HCLZOGPENIWFCO-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 94.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.95
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?

The IUPAC name of 4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17030933) is 4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

What is the SMILES notation for 4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?

The canonical SMILES for 4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is O=C(Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21)Nc1ccc2c(c1)OCCO2.

What is the InChIKey of 4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?

The InChIKey is HCLZOGPENIWFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O4/c27-18-7-5-17(6-8-18)26(33)28-12-11-24-30-20-3-1-2-4-21(20)31(24)16-25(32)29-19-9-10-22-23(15-19)35-14-13-34-22/h1-10,15H,11-14,16H2,(H,28,33)(H,29,32).

What are the key properties of 4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?

4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 490.95 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17030933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).