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

C25H25ClN6O2 — CID 135681833

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

4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 135681833) has the molecular formula C25H25ClN6O2 and a molecular weight of 476.97 g/mol. Its IUPAC name is 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
• PubChem CID: 135681833
• Molecular Formula: C25H25ClN6O2
• Molecular Weight: 476.97 g/mol
• Exact Mass: 476.17
• IUPAC Name: 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
• SMILES: Cc1cc(C2=NCC(C)N2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12
• InChI: InChI=1S/C25H25ClN6O2/c1-13-8-16(23-29-11-14(2)30-23)10-19-22(13)32-24(31-19)21-18(6-7-27-25(21)34)28-12-20(33)15-4-3-5-17(26)9-15/h3-10,14,20,33H,11-12H2,1-2H3,(H,29,30)(H,31,32)(H2,27,28,34)
• InChIKey: QQDQTWDEUJPACU-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 118.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.97
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one (CID 135681833) is 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one.

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

The canonical SMILES for 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one is Cc1cc(C2=NCC(C)N2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12.

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

The InChIKey is QQDQTWDEUJPACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c1-13-8-16(23-29-11-14(2)30-23)10-19-22(13)32-24(31-19)21-18(6-7-27-25(21)34)28-12-20(33)15-4-3-5-17(26)9-15/h3-10,14,20,33H,11-12H2,1-2H3,(H,29,30)(H,31,32)(H2,27,28,34).

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

4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 476.97 g/mol, XLogP of 3.76, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 135681833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).