5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine

C20H17ClF3N5 — CID 20812018

IUPAC5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
SMILESCCCn1c(Cn2ccnc2-c2cccc(C(F)(F)F)c2)nc2ccc(Cl)nc21
InChIInChI=1S/C20H17ClF3N5/c1-2-9-29-17(26-15-6-7-16(21)27-19(15)29)12-28-10-8-25-18(28)13-4-3-5-14(11-13)20(22,23)24/h3-8,10-11H,2,9,12H2,1H3
InChIKeyQGYVZLMXZXQQND-UHFFFAOYSA-N
MW419.84 g/mol
LogP5.43
Rot. Bonds5

About 5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine

5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 20812018) has the molecular formula C20H17ClF3N5 and a molecular weight of 419.84 g/mol. Its IUPAC name is 5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID20812018
Molecular FormulaC20H17ClF3N5
Molecular Weight419.84 g/mol
Exact Mass419.11
IUPAC Name5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
SMILESCCCn1c(Cn2ccnc2-c2cccc(C(F)(F)F)c2)nc2ccc(Cl)nc21
InChIInChI=1S/C20H17ClF3N5/c1-2-9-29-17(26-15-6-7-16(21)27-19(15)29)12-28-10-8-25-18(28)13-4-3-5-14(11-13)20(22,23)24/h3-8,10-11H,2,9,12H2,1H3
InChIKeyQGYVZLMXZXQQND-UHFFFAOYSA-N
XLogP5.43
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.84
LogP ≤ 55.43
H-Bond Donors ≤ 50
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 5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine (CID 20812018) is 5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine is CCCn1c(Cn2ccnc2-c2cccc(C(F)(F)F)c2)nc2ccc(Cl)nc21.
What is the InChIKey of 5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is QGYVZLMXZXQQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N5/c1-2-9-29-17(26-15-6-7-16(21)27-19(15)29)12-28-10-8-25-18(28)13-4-3-5-14(11-13)20(22,23)24/h3-8,10-11H,2,9,12H2,1H3.
What are the key properties of 5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 419.84 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 20812018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).