1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one

C19H18Cl3N5O2 — CID 142507742

IUPAC1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one
SMILESO=C1N(Cc2nc3nc(Cl)ccc3[nH]2)CC(Cc2ccc(Cl)cc2Cl)N1CCO
InChIInChI=1S/C19H18Cl3N5O2/c20-12-2-1-11(14(21)8-12)7-13-9-26(19(29)27(13)5-6-28)10-17-23-15-3-4-16(22)24-18(15)25-17/h1-4,8,13,28H,5-7,9-10H2,(H,23,24,25)
InChIKeyUCVREZFSSVMVQV-UHFFFAOYSA-N
MW454.75 g/mol
LogP3.76
Rot. Bonds6

About 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one

1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one (PubChem CID 142507742) has the molecular formula C19H18Cl3N5O2 and a molecular weight of 454.75 g/mol. Its IUPAC name is 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one
PubChem CID142507742
Molecular FormulaC19H18Cl3N5O2
Molecular Weight454.75 g/mol
Exact Mass453.05
IUPAC Name1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one
SMILESO=C1N(Cc2nc3nc(Cl)ccc3[nH]2)CC(Cc2ccc(Cl)cc2Cl)N1CCO
InChIInChI=1S/C19H18Cl3N5O2/c20-12-2-1-11(14(21)8-12)7-13-9-26(19(29)27(13)5-6-28)10-17-23-15-3-4-16(22)24-18(15)25-17/h1-4,8,13,28H,5-7,9-10H2,(H,23,24,25)
InChIKeyUCVREZFSSVMVQV-UHFFFAOYSA-N
XLogP3.76
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.75
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one?
The IUPAC name of 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one (CID 142507742) is 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one.
What is the SMILES notation for 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one?
The canonical SMILES for 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one is O=C1N(Cc2nc3nc(Cl)ccc3[nH]2)CC(Cc2ccc(Cl)cc2Cl)N1CCO.
What is the InChIKey of 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one?
The InChIKey is UCVREZFSSVMVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N5O2/c20-12-2-1-11(14(21)8-12)7-13-9-26(19(29)27(13)5-6-28)10-17-23-15-3-4-16(22)24-18(15)25-17/h1-4,8,13,28H,5-7,9-10H2,(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-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one?
1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one has a molecular weight of 454.75 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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-dichlorophenyl)methyl]-3-(2-hydroxyethyl)imidazolidin-2-one is sourced from PubChem (CID 142507742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).