1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,4-dichlorobenzoyl)-3-ethylimidazol-2-one;1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)-hydroxymethyl]-3-ethylimidazol-2-one

C38H30Cl6N10O4 — CID 160660456

About 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,4-dichlorobenzoyl)-3-ethylimidazol-2-one;1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)-hydroxymethyl]-3-ethylimidazol-2-one

1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,4-dichlorobenzoyl)-3-ethylimidazol-2-one;1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)-hydroxymethyl]-3-ethylimidazol-2-one (PubChem CID 160660456) has the molecular formula C38H30Cl6N10O4 and a molecular weight of 903.44 g/mol. Its IUPAC name is 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,4-dichlorobenzoyl)-3-ethylimidazol-2-one;1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)-hydroxymethyl]-3-ethylimidazol-2-one.

Molecular Properties

• Compound Name: 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,4-dichlorobenzoyl)-3-ethylimidazol-2-one;1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)-hydroxymethyl]-3-ethylimidazol-2-one
• PubChem CID: 160660456
• Molecular Formula: C38H30Cl6N10O4
• Molecular Weight: 903.44 g/mol
• Exact Mass: 900.06
• IUPAC Name: 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,4-dichlorobenzoyl)-3-ethylimidazol-2-one;1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)-hydroxymethyl]-3-ethylimidazol-2-one
• SMILES: CCn1c(C(=O)c2ccc(Cl)cc2Cl)cn(Cc2nc3nc(Cl)ccc3[nH]2)c1=O.CCn1c(C(O)c2ccc(Cl)cc2Cl)cn(Cc2nc3nc(Cl)ccc3[nH]2)c1=O
• InChI: InChI=1S/C19H16Cl3N5O2.C19H14Cl3N5O2/c2*1-2-27-14(17(28)11-4-3-10(20)7-12(11)21)8-26(19(27)29)9-16-23-13-5-6-15(22)24-18(13)25-16/h3-8,17,28H,2,9H2,1H3,(H,23,24,25);3-8H,2,9H2,1H3,(H,23,24,25)
• InChIKey: RLPITVPRTQVPJA-UHFFFAOYSA-N
• XLogP: 8.21
• TPSA: 174.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	903.44
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,4-dichlorobenzoyl)-3-ethylimidazol-2-one;1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)-hydroxymethyl]-3-ethylimidazol-2-one?

The IUPAC name of 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,4-dichlorobenzoyl)-3-ethylimidazol-2-one;1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)-hydroxymethyl]-3-ethylimidazol-2-one (CID 160660456) is 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,4-dichlorobenzoyl)-3-ethylimidazol-2-one;1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)-hydroxymethyl]-3-ethylimidazol-2-one.

What is the SMILES notation for 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,4-dichlorobenzoyl)-3-ethylimidazol-2-one;1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)-hydroxymethyl]-3-ethylimidazol-2-one?

The canonical SMILES for 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,4-dichlorobenzoyl)-3-ethylimidazol-2-one;1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)-hydroxymethyl]-3-ethylimidazol-2-one is CCn1c(C(=O)c2ccc(Cl)cc2Cl)cn(Cc2nc3nc(Cl)ccc3[nH]2)c1=O.CCn1c(C(O)c2ccc(Cl)cc2Cl)cn(Cc2nc3nc(Cl)ccc3[nH]2)c1=O.

What is the InChIKey of 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,4-dichlorobenzoyl)-3-ethylimidazol-2-one;1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)-hydroxymethyl]-3-ethylimidazol-2-one?

The InChIKey is RLPITVPRTQVPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N5O2.C19H14Cl3N5O2/c2*1-2-27-14(17(28)11-4-3-10(20)7-12(11)21)8-26(19(27)29)9-16-23-13-5-6-15(22)24-18(13)25-16/h3-8,17,28H,2,9H2,1H3,(H,23,24,25);3-8H,2,9H2,1H3,(H,23,24,25).

What are the key properties of 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,4-dichlorobenzoyl)-3-ethylimidazol-2-one;1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)-hydroxymethyl]-3-ethylimidazol-2-one?

1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,4-dichlorobenzoyl)-3-ethylimidazol-2-one;1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)-hydroxymethyl]-3-ethylimidazol-2-one has a molecular weight of 903.44 g/mol, XLogP of 8.21, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-(2,4-dichlorobenzoyl)-3-ethylimidazol-2-one;1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)-hydroxymethyl]-3-ethylimidazol-2-one is sourced from PubChem (CID 160660456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).