1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea

C14H19N5O — CID 47220217

IUPAC1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea
SMILESCC(Cn1ccnc1)NC(=O)NC(C)c1ccccn1
InChIInChI=1S/C14H19N5O/c1-11(9-19-8-7-15-10-19)17-14(20)18-12(2)13-5-3-4-6-16-13/h3-8,10-12H,9H2,1-2H3,(H2,17,18,20)
InChIKeyHGBYUYDDASLVOF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.73
Rot. Bonds5

About 1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea

1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea (PubChem CID 47220217) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea
PubChem CID47220217
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea
SMILESCC(Cn1ccnc1)NC(=O)NC(C)c1ccccn1
InChIInChI=1S/C14H19N5O/c1-11(9-19-8-7-15-10-19)17-14(20)18-12(2)13-5-3-4-6-16-13/h3-8,10-12H,9H2,1-2H3,(H2,17,18,20)
InChIKeyHGBYUYDDASLVOF-UHFFFAOYSA-N
XLogP1.73
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 97087982
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea
CID 95133629
(2S)-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-3-methylbutanoic acid
CID 61480675
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea
CID 94166237
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 107518195
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183170
methyl N-[4-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]phenyl]carbamate
CID 95574102

Frequently Asked Questions

What is the IUPAC name of 1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea (CID 47220217) is 1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea is CC(Cn1ccnc1)NC(=O)NC(C)c1ccccn1.
What is the InChIKey of 1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea?
The InChIKey is HGBYUYDDASLVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11(9-19-8-7-15-10-19)17-14(20)18-12(2)13-5-3-4-6-16-13/h3-8,10-12H,9H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea?
1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea has a molecular weight of 273.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 47220217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).