2-[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]imidazol-1-yl]-5-fluoropyridine

C18H17ClFN3O — CID 141278017

IUPAC2-[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]imidazol-1-yl]-5-fluoropyridine
SMILESCOc1cc(C(C)(C)c2cncn2-c2ccc(F)cn2)ccc1Cl
InChIInChI=1S/C18H17ClFN3O/c1-18(2,12-4-6-14(19)15(8-12)24-3)16-10-21-11-23(16)17-7-5-13(20)9-22-17/h4-11H,1-3H3
InChIKeyYDHDCOJIDIPJDK-UHFFFAOYSA-N
MW345.81 g/mol
LogP4.39
Rot. Bonds4

About 2-[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]imidazol-1-yl]-5-fluoropyridine

2-[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]imidazol-1-yl]-5-fluoropyridine (PubChem CID 141278017) has the molecular formula C18H17ClFN3O and a molecular weight of 345.81 g/mol. Its IUPAC name is 2-[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]imidazol-1-yl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]imidazol-1-yl]-5-fluoropyridine
PubChem CID141278017
Molecular FormulaC18H17ClFN3O
Molecular Weight345.81 g/mol
Exact Mass345.10
IUPAC Name2-[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]imidazol-1-yl]-5-fluoropyridine
SMILESCOc1cc(C(C)(C)c2cncn2-c2ccc(F)cn2)ccc1Cl
InChIInChI=1S/C18H17ClFN3O/c1-18(2,12-4-6-14(19)15(8-12)24-3)16-10-21-11-23(16)17-7-5-13(20)9-22-17/h4-11H,1-3H3
InChIKeyYDHDCOJIDIPJDK-UHFFFAOYSA-N
XLogP4.39
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]imidazol-1-yl]-5-fluoropyridine?
The IUPAC name of 2-[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]imidazol-1-yl]-5-fluoropyridine (CID 141278017) is 2-[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]imidazol-1-yl]-5-fluoropyridine.
What is the SMILES notation for 2-[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]imidazol-1-yl]-5-fluoropyridine?
The canonical SMILES for 2-[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]imidazol-1-yl]-5-fluoropyridine is COc1cc(C(C)(C)c2cncn2-c2ccc(F)cn2)ccc1Cl.
What is the InChIKey of 2-[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]imidazol-1-yl]-5-fluoropyridine?
The InChIKey is YDHDCOJIDIPJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O/c1-18(2,12-4-6-14(19)15(8-12)24-3)16-10-21-11-23(16)17-7-5-13(20)9-22-17/h4-11H,1-3H3.
What are the key properties of 2-[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]imidazol-1-yl]-5-fluoropyridine?
2-[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]imidazol-1-yl]-5-fluoropyridine has a molecular weight of 345.81 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]imidazol-1-yl]-5-fluoropyridine is sourced from PubChem (CID 141278017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).