1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea

C17H24N4O2 — CID 94166237

IUPAC1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea
SMILESCC(C)COc1ccccc1NC(=O)N[C@@H](C)Cn1ccnc1
InChIInChI=1S/C17H24N4O2/c1-13(2)11-23-16-7-5-4-6-15(16)20-17(22)19-14(3)10-21-9-8-18-12-21/h4-9,12-14H,10-11H2,1-3H3,(H2,19,20,22)/t14-/m0/s1
InChIKeyUCHYJRICTWJOHT-AWEZNQCLSA-N
MW316.40 g/mol
LogP3.13
Rot. Bonds7

About 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea

1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea (PubChem CID 94166237) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea
PubChem CID94166237
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea
SMILESCC(C)COc1ccccc1NC(=O)N[C@@H](C)Cn1ccnc1
InChIInChI=1S/C17H24N4O2/c1-13(2)11-23-16-7-5-4-6-15(16)20-17(22)19-14(3)10-21-9-8-18-12-21/h4-9,12-14H,10-11H2,1-3H3,(H2,19,20,22)/t14-/m0/s1
InChIKeyUCHYJRICTWJOHT-AWEZNQCLSA-N
XLogP3.13
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 95313090
methyl N-[4-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]phenyl]carbamate
CID 95574102
3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503297
1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
CID 47264632
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
CID 94683249
1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea
CID 47220217
1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 61481054
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 95273993
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 51082871
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea?
The IUPAC name of 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea (CID 94166237) is 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea.
What is the SMILES notation for 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea?
The canonical SMILES for 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea is CC(C)COc1ccccc1NC(=O)N[C@@H](C)Cn1ccnc1.
What is the InChIKey of 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea?
The InChIKey is UCHYJRICTWJOHT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(2)11-23-16-7-5-4-6-15(16)20-17(22)19-14(3)10-21-9-8-18-12-21/h4-9,12-14H,10-11H2,1-3H3,(H2,19,20,22)/t14-/m0/s1.
What are the key properties of 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea?
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea has a molecular weight of 316.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea is sourced from PubChem (CID 94166237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).