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

C19H16Cl3N5O — CID 137368741

IUPAC1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one
SMILESCCn1c(Cc2ccc(Cl)cc2Cl)cn(Cc2nc3nc(Cl)ccc3[nH]2)c1=O
InChIInChI=1S/C19H16Cl3N5O/c1-2-27-13(7-11-3-4-12(20)8-14(11)21)9-26(19(27)28)10-17-23-15-5-6-16(22)24-18(15)25-17/h3-6,8-9H,2,7,10H2,1H3,(H,23,24,25)
InChIKeyRSPMCEOVLOMEQS-UHFFFAOYSA-N
MW436.73 g/mol
LogP4.54
Rot. Bonds5

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

1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one (PubChem CID 137368741) has the molecular formula C19H16Cl3N5O and a molecular weight of 436.73 g/mol. Its IUPAC name is 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one
PubChem CID137368741
Molecular FormulaC19H16Cl3N5O
Molecular Weight436.73 g/mol
Exact Mass435.04
IUPAC Name1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one
SMILESCCn1c(Cc2ccc(Cl)cc2Cl)cn(Cc2nc3nc(Cl)ccc3[nH]2)c1=O
InChIInChI=1S/C19H16Cl3N5O/c1-2-27-13(7-11-3-4-12(20)8-14(11)21)9-26(19(27)28)10-17-23-15-5-6-16(22)24-18(15)25-17/h3-6,8-9H,2,7,10H2,1H3,(H,23,24,25)
InChIKeyRSPMCEOVLOMEQS-UHFFFAOYSA-N
XLogP4.54
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.73
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-ethylimidazol-2-one?
The IUPAC name of 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one (CID 137368741) is 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-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-dichlorophenyl)methyl]-3-ethylimidazol-2-one?
The canonical SMILES for 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one is CCn1c(Cc2ccc(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-dichlorophenyl)methyl]-3-ethylimidazol-2-one?
The InChIKey is RSPMCEOVLOMEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N5O/c1-2-27-13(7-11-3-4-12(20)8-14(11)21)9-26(19(27)28)10-17-23-15-5-6-16(22)24-18(15)25-17/h3-6,8-9H,2,7,10H2,1H3,(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-dichlorophenyl)methyl]-3-ethylimidazol-2-one?
1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one has a molecular weight of 436.73 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-ethylimidazol-2-one is sourced from PubChem (CID 137368741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).