3-chloro-N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

C27H25ClN4O2 — CID 16966997

About 3-chloro-N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

3-chloro-N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16966997) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is 3-chloro-N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
• PubChem CID: 16966997
• Molecular Formula: C27H25ClN4O2
• Molecular Weight: 472.98 g/mol
• Exact Mass: 472.17
• IUPAC Name: 3-chloro-N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
• SMILES: CC(NC(=O)c1cccc(Cl)c1)c1nc2ccccc2n1CC(=O)N1CCCc2ccccc21
• InChI: InChI=1S/C27H25ClN4O2/c1-18(29-27(34)20-9-6-11-21(28)16-20)26-30-22-12-3-5-14-24(22)32(26)17-25(33)31-15-7-10-19-8-2-4-13-23(19)31/h2-6,8-9,11-14,16,18H,7,10,15,17H2,1H3,(H,29,34)
• InChIKey: YTOIIGFXJHLVRJ-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.98
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-chloro-N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 16966997) is 3-chloro-N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

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

The canonical SMILES for 3-chloro-N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is CC(NC(=O)c1cccc(Cl)c1)c1nc2ccccc2n1CC(=O)N1CCCc2ccccc21.

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

The InChIKey is YTOIIGFXJHLVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2/c1-18(29-27(34)20-9-6-11-21(28)16-20)26-30-22-12-3-5-14-24(22)32(26)17-25(33)31-15-7-10-19-8-2-4-13-23(19)31/h2-6,8-9,11-14,16,18H,7,10,15,17H2,1H3,(H,29,34).

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

3-chloro-N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 472.98 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16966997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).