3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea

C15H20ClN5O — CID 72916605

IUPAC3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
SMILESCCCN(Cc1nccn1C)C(=O)Nc1ccc(Cl)nc1C
InChIInChI=1S/C15H20ClN5O/c1-4-8-21(10-14-17-7-9-20(14)3)15(22)19-12-5-6-13(16)18-11(12)2/h5-7,9H,4,8,10H2,1-3H3,(H,19,22)
InChIKeyFFKHNJJKMMWENE-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.22
Rot. Bonds5

About 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea

3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea (PubChem CID 72916605) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea.

Molecular Properties

Compound Name3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
PubChem CID72916605
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
SMILESCCCN(Cc1nccn1C)C(=O)Nc1ccc(Cl)nc1C
InChIInChI=1S/C15H20ClN5O/c1-4-8-21(10-14-17-7-9-20(14)3)15(22)19-12-5-6-13(16)18-11(12)2/h5-7,9H,4,8,10H2,1-3H3,(H,19,22)
InChIKeyFFKHNJJKMMWENE-UHFFFAOYSA-N
XLogP3.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea
CID 118788930
1-[(1-methylimidazol-2-yl)methyl]-3-(2-methyl-5-methylsulfonylphenyl)-1-propylurea
CID 72862791
1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea
CID 72929270
1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea
CID 72878655
1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 157011985
1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea
CID 125155347
6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 55183263
3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 72849632
3-[1-(4-ethoxyphenyl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 122564217
1-[(1-methylimidazol-2-yl)methyl]-3-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-1-propylurea
CID 125441423
1-[(1-methylimidazol-2-yl)methyl]-3-(2-methyl-1-pyridin-3-ylpropyl)-1-propylurea
CID 122563927
1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea
CID 118766238

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea?
The IUPAC name of 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea (CID 72916605) is 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea.
What is the SMILES notation for 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea?
The canonical SMILES for 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea is CCCN(Cc1nccn1C)C(=O)Nc1ccc(Cl)nc1C.
What is the InChIKey of 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea?
The InChIKey is FFKHNJJKMMWENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-4-8-21(10-14-17-7-9-20(14)3)15(22)19-12-5-6-13(16)18-11(12)2/h5-7,9H,4,8,10H2,1-3H3,(H,19,22).
What are the key properties of 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea?
3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea has a molecular weight of 321.81 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea is sourced from PubChem (CID 72916605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).