1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea

C17H18N6O — CID 167957081

IUPAC1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
SMILESCc1cc(C)nc(NC(=O)NCc2ccc(-n3ccnc3)nc2)c1
InChIInChI=1S/C17H18N6O/c1-12-7-13(2)21-15(8-12)22-17(24)20-10-14-3-4-16(19-9-14)23-6-5-18-11-23/h3-9,11H,10H2,1-2H3,(H2,20,21,22,24)
InChIKeyUQBCSEDFHUNIDH-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.60
Rot. Bonds4

About 1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea

1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea (PubChem CID 167957081) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
PubChem CID167957081
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
SMILESCc1cc(C)nc(NC(=O)NCc2ccc(-n3ccnc3)nc2)c1
InChIInChI=1S/C17H18N6O/c1-12-7-13(2)21-15(8-12)22-17(24)20-10-14-3-4-16(19-9-14)23-6-5-18-11-23/h3-9,11H,10H2,1-2H3,(H2,20,21,22,24)
InChIKeyUQBCSEDFHUNIDH-UHFFFAOYSA-N
XLogP2.60
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075
1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 110894423
1-(1-adamantylmethyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 36968166
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 51080164
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(3-phenylpropyl)urea
CID 36509052
1-heptan-2-yl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 43062127
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111244562
1-(5-hydroxy-4,4-dimethylpentyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 111504347
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-isocyanoacetamide
CID 164823089
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylbutan-2-yl)urea
CID 56783628
ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate
CID 31537374

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea (CID 167957081) is 1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea is Cc1cc(C)nc(NC(=O)NCc2ccc(-n3ccnc3)nc2)c1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is UQBCSEDFHUNIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-7-13(2)21-15(8-12)22-17(24)20-10-14-3-4-16(19-9-14)23-6-5-18-11-23/h3-9,11H,10H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?
1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 322.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 167957081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).