1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea

C14H19N5O2 — CID 118788930

IUPAC1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea
SMILESCCCN(Cc1nccn1C)C(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C14H19N5O2/c1-3-8-19(10-12-15-7-9-18(12)2)14(21)17-11-5-4-6-16-13(11)20/h4-7,9H,3,8,10H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyGCFWCFGKKDFNON-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.55
Rot. Bonds5

About 1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea

1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea (PubChem CID 118788930) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea
PubChem CID118788930
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea
SMILESCCCN(Cc1nccn1C)C(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C14H19N5O2/c1-3-8-19(10-12-15-7-9-18(12)2)14(21)17-11-5-4-6-16-13(11)20/h4-7,9H,3,8,10H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyGCFWCFGKKDFNON-UHFFFAOYSA-N
XLogP1.55
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea
CID 72929270
3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 72916605
1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea
CID 72878655
1-[(1-methylimidazol-2-yl)methyl]-3-(2-methyl-5-methylsulfonylphenyl)-1-propylurea
CID 72862791
3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 72849632
1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea
CID 125155347
1-[(1-methylimidazol-2-yl)methyl]-3-(2-methyl-1-pyridin-3-ylpropyl)-1-propylurea
CID 122563927
1-[(1-methylimidazol-2-yl)methyl]-3-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-1-propylurea
CID 125441423
1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 157011985
3-[1-(4-ethoxyphenyl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 122564217
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone
CID 60681614
3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide
CID 47000347

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea (CID 118788930) is 1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea is CCCN(Cc1nccn1C)C(=O)Nc1ccc[nH]c1=O.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea?
The InChIKey is GCFWCFGKKDFNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-8-19(10-12-15-7-9-18(12)2)14(21)17-11-5-4-6-16-13(11)20/h4-7,9H,3,8,10H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea?
1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea has a molecular weight of 289.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea is sourced from PubChem (CID 118788930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).