1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea

C12H16N6O — CID 110492282

IUPAC1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea
SMILESO=C(NCCCCn1ccnc1)Nc1cnccn1
InChIInChI=1S/C12H16N6O/c19-12(17-11-9-13-4-5-15-11)16-3-1-2-7-18-8-6-14-10-18/h4-6,8-10H,1-3,7H2,(H2,15,16,17,19)
InChIKeyBVRTZEDAERVPBS-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.27
Rot. Bonds6

About 1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea

1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea (PubChem CID 110492282) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea
PubChem CID110492282
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea
SMILESO=C(NCCCCn1ccnc1)Nc1cnccn1
InChIInChI=1S/C12H16N6O/c19-12(17-11-9-13-4-5-15-11)16-3-1-2-7-18-8-6-14-10-18/h4-6,8-10H,1-3,7H2,(H2,15,16,17,19)
InChIKeyBVRTZEDAERVPBS-UHFFFAOYSA-N
XLogP1.27
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea
CID 86788667
1-pentyl-3-pyrazin-2-ylurea
CID 110492127
1-(3-hydroxypropyl)-3-pyrazin-2-ylurea
CID 110492118
6-(pyrazin-2-ylcarbamoylamino)hexanoic acid
CID 110492246
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea
CID 110492155
3-(pyrazin-2-ylcarbamoylamino)propanoic acid
CID 110492132
1-(3-phenylpropyl)-3-pyrazin-2-ylurea
CID 108893900
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
3-imidazol-1-ylpropylurea
CID 22179621
1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 47032146

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea (CID 110492282) is 1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea is O=C(NCCCCn1ccnc1)Nc1cnccn1.
What is the InChIKey of 1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea?
The InChIKey is BVRTZEDAERVPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c19-12(17-11-9-13-4-5-15-11)16-3-1-2-7-18-8-6-14-10-18/h4-6,8-10H,1-3,7H2,(H2,15,16,17,19).
What are the key properties of 1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea?
1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea has a molecular weight of 260.30 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 110492282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).