1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea

C18H16ClF3N4O — CID 86995183

IUPAC1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)NCc1cn2cc(Cl)ccc2n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16ClF3N4O/c1-11(12-2-4-13(5-3-12)18(20,21)22)24-17(27)23-8-15-10-26-9-14(19)6-7-16(26)25-15/h2-7,9-11H,8H2,1H3,(H2,23,24,27)
InChIKeyXDGXXWDBMLCYCJ-UHFFFAOYSA-N
MW396.80 g/mol
LogP4.57
Rot. Bonds4

About 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea

1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 86995183) has the molecular formula C18H16ClF3N4O and a molecular weight of 396.80 g/mol. Its IUPAC name is 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID86995183
Molecular FormulaC18H16ClF3N4O
Molecular Weight396.80 g/mol
Exact Mass396.10
IUPAC Name1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)NCc1cn2cc(Cl)ccc2n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16ClF3N4O/c1-11(12-2-4-13(5-3-12)18(20,21)22)24-17(27)23-8-15-10-26-9-14(19)6-7-16(26)25-15/h2-7,9-11H,8H2,1H3,(H2,23,24,27)
InChIKeyXDGXXWDBMLCYCJ-UHFFFAOYSA-N
XLogP4.57
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.80
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea (CID 86995183) is 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea is CC(NC(=O)NCc1cn2cc(Cl)ccc2n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is XDGXXWDBMLCYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N4O/c1-11(12-2-4-13(5-3-12)18(20,21)22)24-17(27)23-8-15-10-26-9-14(19)6-7-16(26)25-15/h2-7,9-11H,8H2,1H3,(H2,23,24,27).
What are the key properties of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea?
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 396.80 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 86995183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).