1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea

C13H17N5O — CID 86788667

IUPAC1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)NCCCn2ccnc2)nc1
InChIInChI=1S/C13H17N5O/c1-11-3-4-12(16-9-11)17-13(19)15-5-2-7-18-8-6-14-10-18/h3-4,6,8-10H,2,5,7H2,1H3,(H2,15,16,17,19)
InChIKeyHJFVONDVWFBTDZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.80
Rot. Bonds5

About 1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea

1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea (PubChem CID 86788667) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea
PubChem CID86788667
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)NCCCn2ccnc2)nc1
InChIInChI=1S/C13H17N5O/c1-11-3-4-12(16-9-11)17-13(19)15-5-2-7-18-8-6-14-10-18/h3-4,6,8-10H,2,5,7H2,1H3,(H2,15,16,17,19)
InChIKeyHJFVONDVWFBTDZ-UHFFFAOYSA-N
XLogP1.80
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea
CID 110492282
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237
1-(2-methoxyethyl)-3-(5-methyl-2-pyridinyl)urea
CID 84600557
2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669271
1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea
CID 72883787
1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 47032146
1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea
CID 56823902
2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 6464359
1-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl]-3-(5-methyl-2-pyridinyl)urea
CID 108890031
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea (CID 86788667) is 1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)NCCCn2ccnc2)nc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is HJFVONDVWFBTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-11-3-4-12(16-9-11)17-13(19)15-5-2-7-18-8-6-14-10-18/h3-4,6,8-10H,2,5,7H2,1H3,(H2,15,16,17,19).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea?
1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 259.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 86788667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).