3-[4-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one

C23H20Cl2N6O2 — CID 135681775

About 3-[4-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one

3-[4-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one (PubChem CID 135681775) has the molecular formula C23H20Cl2N6O2 and a molecular weight of 483.36 g/mol. Its IUPAC name is 3-[4-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-[4-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one
• PubChem CID: 135681775
• Molecular Formula: C23H20Cl2N6O2
• Molecular Weight: 483.36 g/mol
• Exact Mass: 482.10
• IUPAC Name: 3-[4-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one
• SMILES: O=c1[nH]ccc(NCC(O)c2cccc(Cl)c2)c1-c1nc2c(Cl)cc(C3=NCCN3)cc2[nH]1
• InChI: InChI=1S/C23H20Cl2N6O2/c24-14-3-1-2-12(8-14)18(32)11-29-16-4-5-28-23(33)19(16)22-30-17-10-13(21-26-6-7-27-21)9-15(25)20(17)31-22/h1-5,8-10,18,32H,6-7,11H2,(H,26,27)(H,30,31)(H2,28,29,33)
• InChIKey: LPRRTSBXIAYEBH-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 118.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.36
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one?

The IUPAC name of 3-[4-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one (CID 135681775) is 3-[4-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one.

What is the SMILES notation for 3-[4-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one?

The canonical SMILES for 3-[4-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one is O=c1[nH]ccc(NCC(O)c2cccc(Cl)c2)c1-c1nc2c(Cl)cc(C3=NCCN3)cc2[nH]1.

What is the InChIKey of 3-[4-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one?

The InChIKey is LPRRTSBXIAYEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N6O2/c24-14-3-1-2-12(8-14)18(32)11-29-16-4-5-28-23(33)19(16)22-30-17-10-13(21-26-6-7-27-21)9-15(25)20(17)31-22/h1-5,8-10,18,32H,6-7,11H2,(H,26,27)(H,30,31)(H2,28,29,33).

What are the key properties of 3-[4-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one?

3-[4-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one has a molecular weight of 483.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 135681775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).