1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea

C17H22N4O — CID 47075859

IUPAC1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
SMILESCC(C)NC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C17H22N4O/c1-12(2)18-17(22)19-14-8-6-13(7-9-14)15-11-21-10-4-3-5-16(21)20-15/h6-9,11-12H,3-5,10H2,1-2H3,(H2,18,19,22)
InChIKeyKMZUGFVJGSQQGU-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.42
Rot. Bonds3

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

1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea (PubChem CID 47075859) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
PubChem CID47075859
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
SMILESCC(C)NC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C17H22N4O/c1-12(2)18-17(22)19-14-8-6-13(7-9-14)15-11-21-10-4-3-5-16(21)20-15/h6-9,11-12H,3-5,10H2,1-2H3,(H2,18,19,22)
InChIKeyKMZUGFVJGSQQGU-UHFFFAOYSA-N
XLogP3.42
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 71937815
2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82117431
N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]formamide
CID 168652444
N-[1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 42941746
N-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline
CID 177207803
2-(1,3-dioxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 55886358
3-(4-methylpyrazol-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 86830001
3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride
CID 119953344
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 60525291
2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525812
(E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide
CID 98869555
4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The IUPAC name of 1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea (CID 47075859) is 1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea is CC(C)NC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1.
What is the InChIKey of 1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
The InChIKey is KMZUGFVJGSQQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)18-17(22)19-14-8-6-13(7-9-14)15-11-21-10-4-3-5-16(21)20-15/h6-9,11-12H,3-5,10H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea?
1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea has a molecular weight of 298.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea is sourced from PubChem (CID 47075859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).