1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea

C16H23F3N4O — CID 95307993

IUPAC1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NCc1cn2c(n1)CCCC2)N[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C16H23F3N4O/c17-16(18,19)12-5-1-2-6-13(12)22-15(24)20-9-11-10-23-8-4-3-7-14(23)21-11/h10,12-13H,1-9H2,(H2,20,22,24)/t12-,13+/m0/s1
InChIKeyCFYSTWXGDZTXSR-QWHCGFSZSA-N
MW344.38 g/mol
LogP3.14
Rot. Bonds3

About 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea

1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea (PubChem CID 95307993) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea
PubChem CID95307993
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NCc1cn2c(n1)CCCC2)N[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C16H23F3N4O/c17-16(18,19)12-5-1-2-6-13(12)22-15(24)20-9-11-10-23-8-4-3-7-14(23)21-11/h10,12-13H,1-9H2,(H2,20,22,24)/t12-,13+/m0/s1
InChIKeyCFYSTWXGDZTXSR-QWHCGFSZSA-N
XLogP3.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea (CID 95307993) is 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea is O=C(NCc1cn2c(n1)CCCC2)N[C@@H]1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is CFYSTWXGDZTXSR-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H23F3N4O/c17-16(18,19)12-5-1-2-6-13(12)22-15(24)20-9-11-10-23-8-4-3-7-14(23)21-11/h10,12-13H,1-9H2,(H2,20,22,24)/t12-,13+/m0/s1.
What are the key properties of 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea?
1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 344.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 95307993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).