1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea

C13H21N5O2 — CID 126427764

IUPAC1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
SMILESCC(C)N1C[C@H](NC(=O)N(C)Cc2ncc[nH]2)CC1=O
InChIInChI=1S/C13H21N5O2/c1-9(2)18-7-10(6-12(18)19)16-13(20)17(3)8-11-14-4-5-15-11/h4-5,9-10H,6-8H2,1-3H3,(H,14,15)(H,16,20)/t10-/m1/s1
InChIKeyRBLTZKNRHYEPBO-SNVBAGLBSA-N
MW279.34 g/mol
LogP0.56
Rot. Bonds4

About 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea

1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea (PubChem CID 126427764) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
PubChem CID126427764
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
SMILESCC(C)N1C[C@H](NC(=O)N(C)Cc2ncc[nH]2)CC1=O
InChIInChI=1S/C13H21N5O2/c1-9(2)18-7-10(6-12(18)19)16-13(20)17(3)8-11-14-4-5-15-11/h4-5,9-10H,6-8H2,1-3H3,(H,14,15)(H,16,20)/t10-/m1/s1
InChIKeyRBLTZKNRHYEPBO-SNVBAGLBSA-N
XLogP0.56
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319786
N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 115668365
1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876896
2-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide
CID 110736652
3-[(2R)-heptan-2-yl]-1-(1H-imidazol-2-ylmethyl)-1-methylurea
CID 122570121
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63939857
(2S,3S)-2-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 64518696
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 64511881
(2R)-2-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107828053
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]acetamide
CID 136898255
1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea
CID 108876959

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea (CID 126427764) is 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea is CC(C)N1C[C@H](NC(=O)N(C)Cc2ncc[nH]2)CC1=O.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea?
The InChIKey is RBLTZKNRHYEPBO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-9(2)18-7-10(6-12(18)19)16-13(20)17(3)8-11-14-4-5-15-11/h4-5,9-10H,6-8H2,1-3H3,(H,14,15)(H,16,20)/t10-/m1/s1.
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea?
1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea has a molecular weight of 279.34 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea is sourced from PubChem (CID 126427764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).