4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethylimidazo[4,5-c]pyridine

C21H21ClF3N3 — CID 18001392

IUPAC4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethylimidazo[4,5-c]pyridine
SMILESCCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)nccc2n1C(CC)C1CC1
InChIInChI=1S/C21H21ClF3N3/c1-3-16(12-5-6-12)28-17-9-10-26-19(20(17)27-18(28)4-2)14-8-7-13(11-15(14)22)21(23,24)25/h7-12,16H,3-6H2,1-2H3
InChIKeyJYDUPUKAOKKYHE-UHFFFAOYSA-N
MW407.87 g/mol
LogP6.69
Rot. Bonds5

About 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethylimidazo[4,5-c]pyridine

4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethylimidazo[4,5-c]pyridine (PubChem CID 18001392) has the molecular formula C21H21ClF3N3 and a molecular weight of 407.87 g/mol. Its IUPAC name is 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethylimidazo[4,5-c]pyridine
PubChem CID18001392
Molecular FormulaC21H21ClF3N3
Molecular Weight407.87 g/mol
Exact Mass407.14
IUPAC Name4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethylimidazo[4,5-c]pyridine
SMILESCCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)nccc2n1C(CC)C1CC1
InChIInChI=1S/C21H21ClF3N3/c1-3-16(12-5-6-12)28-17-9-10-26-19(20(17)27-18(28)4-2)14-8-7-13(11-15(14)22)21(23,24)25/h7-12,16H,3-6H2,1-2H3
InChIKeyJYDUPUKAOKKYHE-UHFFFAOYSA-N
XLogP6.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.87
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethylimidazo[4,5-c]pyridine?
The IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethylimidazo[4,5-c]pyridine (CID 18001392) is 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethylimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethylimidazo[4,5-c]pyridine?
The canonical SMILES for 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethylimidazo[4,5-c]pyridine is CCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)nccc2n1C(CC)C1CC1.
What is the InChIKey of 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethylimidazo[4,5-c]pyridine?
The InChIKey is JYDUPUKAOKKYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3N3/c1-3-16(12-5-6-12)28-17-9-10-26-19(20(17)27-18(28)4-2)14-8-7-13(11-15(14)22)21(23,24)25/h7-12,16H,3-6H2,1-2H3.
What are the key properties of 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethylimidazo[4,5-c]pyridine?
4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethylimidazo[4,5-c]pyridine has a molecular weight of 407.87 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1-cyclopropylpropyl)-2-ethylimidazo[4,5-c]pyridine is sourced from PubChem (CID 18001392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).