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

C14H19N5O — CID 95131187

IUPAC1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea
SMILESC[C@H](Cn1ccnc1)NC(=O)NCCc1cccnc1
InChIInChI=1S/C14H19N5O/c1-12(10-19-8-7-16-11-19)18-14(20)17-6-4-13-3-2-5-15-9-13/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H2,17,18,20)/t12-/m1/s1
InChIKeyUQJJKUWGNDLDFI-GFCCVEGCSA-N
MW273.34 g/mol
LogP1.21
Rot. Bonds6

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

1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea (PubChem CID 95131187) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea
PubChem CID95131187
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea
SMILESC[C@H](Cn1ccnc1)NC(=O)NCCc1cccnc1
InChIInChI=1S/C14H19N5O/c1-12(10-19-8-7-16-11-19)18-14(20)17-6-4-13-3-2-5-15-9-13/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H2,17,18,20)/t12-/m1/s1
InChIKeyUQJJKUWGNDLDFI-GFCCVEGCSA-N
XLogP1.21
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 55683150
1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea
CID 126801666
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
1-[(3-bromophenyl)methyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 95045519
4-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957773
2-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 61204035
(2S)-3,3-dimethyl-2-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 61204039
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183170
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 94178624
1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 61481054
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 51082871

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea (CID 95131187) is 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea is C[C@H](Cn1ccnc1)NC(=O)NCCc1cccnc1.
What is the InChIKey of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea?
The InChIKey is UQJJKUWGNDLDFI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N5O/c1-12(10-19-8-7-16-11-19)18-14(20)17-6-4-13-3-2-5-15-9-13/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H2,17,18,20)/t12-/m1/s1.
What are the key properties of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea?
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea has a molecular weight of 273.34 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 95131187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).