1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea

C17H22N4O — CID 94183170

IUPAC1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea
SMILESC[C@H](Cn1ccnc1)NC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C17H22N4O/c1-14(11-21-10-9-18-13-21)20-16(22)19-12-17(7-8-17)15-5-3-2-4-6-15/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H2,19,20,22)/t14-/m1/s1
InChIKeyPJZDLXMQRDFNFE-CQSZACIVSA-N
MW298.39 g/mol
LogP2.30
Rot. Bonds6

About 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea

1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 94183170) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea
PubChem CID94183170
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea
SMILESC[C@H](Cn1ccnc1)NC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C17H22N4O/c1-14(11-21-10-9-18-13-21)20-16(22)19-12-17(7-8-17)15-5-3-2-4-6-15/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H2,19,20,22)/t14-/m1/s1
InChIKeyPJZDLXMQRDFNFE-CQSZACIVSA-N
XLogP2.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 95261587
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CID 94117739
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 112828675
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
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CID 60861260
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
4-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957773
1-[(3-bromophenyl)methyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 95045519
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea
CID 95131187
1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea
CID 47220217
1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94163986
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 94172337

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea (CID 94183170) is 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea is C[C@H](Cn1ccnc1)NC(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is PJZDLXMQRDFNFE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14(11-21-10-9-18-13-21)20-16(22)19-12-17(7-8-17)15-5-3-2-4-6-15/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H2,19,20,22)/t14-/m1/s1.
What are the key properties of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea?
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 298.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 94183170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).