1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C21H37N5O — CID 127300261

IUPAC1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NC2CCc3nc(C(C)(C)C)cn3C2)CC(C)(C)N1
InChIInChI=1S/C21H37N5O/c1-19(2,3)16-13-26-12-14(8-9-17(26)24-16)22-18(27)23-15-10-20(4,5)25-21(6,7)11-15/h13-15,25H,8-12H2,1-7H3,(H2,22,23,27)
InChIKeyKNUHEYOUPXXRDP-UHFFFAOYSA-N
MW375.56 g/mol
LogP3.10
Rot. Bonds2

About 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 127300261) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID127300261
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC Name1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NC2CCc3nc(C(C)(C)C)cn3C2)CC(C)(C)N1
InChIInChI=1S/C21H37N5O/c1-19(2,3)16-13-26-12-14(8-9-17(26)24-16)22-18(27)23-15-10-20(4,5)25-21(6,7)11-15/h13-15,25H,8-12H2,1-7H3,(H2,22,23,27)
InChIKeyKNUHEYOUPXXRDP-UHFFFAOYSA-N
XLogP3.10
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 127300261) is 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC1(C)CC(NC(=O)NC2CCc3nc(C(C)(C)C)cn3C2)CC(C)(C)N1.
What is the InChIKey of 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is KNUHEYOUPXXRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O/c1-19(2,3)16-13-26-12-14(8-9-17(26)24-16)22-18(27)23-15-10-20(4,5)25-21(6,7)11-15/h13-15,25H,8-12H2,1-7H3,(H2,22,23,27).
What are the key properties of 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 375.56 g/mol, XLogP of 3.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 127300261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).