1,3-bis[2-(2-methylimidazol-1-yl)ethyl]urea

C13H20N6O — CID 66808741

IUPAC1,3-bis[2-(2-methylimidazol-1-yl)ethyl]urea
SMILESCc1nccn1CCNC(=O)NCCn1ccnc1C
InChIInChI=1S/C13H20N6O/c1-11-14-3-7-18(11)9-5-16-13(20)17-6-10-19-8-4-15-12(19)2/h3-4,7-8H,5-6,9-10H2,1-2H3,(H2,16,17,20)
InChIKeyIVUVPTJFSFONJU-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.70
Rot. Bonds6

About 1,3-bis[2-(2-methylimidazol-1-yl)ethyl]urea

1,3-bis[2-(2-methylimidazol-1-yl)ethyl]urea (PubChem CID 66808741) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1,3-bis[2-(2-methylimidazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1,3-bis[2-(2-methylimidazol-1-yl)ethyl]urea
PubChem CID66808741
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1,3-bis[2-(2-methylimidazol-1-yl)ethyl]urea
SMILESCc1nccn1CCNC(=O)NCCn1ccnc1C
InChIInChI=1S/C13H20N6O/c1-11-14-3-7-18(11)9-5-16-13(20)17-6-10-19-8-4-15-12(19)2/h3-4,7-8H,5-6,9-10H2,1-2H3,(H2,16,17,20)
InChIKeyIVUVPTJFSFONJU-UHFFFAOYSA-N
XLogP0.70
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(2-methylimidazol-1-yl)ethyl]urea?
The IUPAC name of 1,3-bis[2-(2-methylimidazol-1-yl)ethyl]urea (CID 66808741) is 1,3-bis[2-(2-methylimidazol-1-yl)ethyl]urea.
What is the SMILES notation for 1,3-bis[2-(2-methylimidazol-1-yl)ethyl]urea?
The canonical SMILES for 1,3-bis[2-(2-methylimidazol-1-yl)ethyl]urea is Cc1nccn1CCNC(=O)NCCn1ccnc1C.
What is the InChIKey of 1,3-bis[2-(2-methylimidazol-1-yl)ethyl]urea?
The InChIKey is IVUVPTJFSFONJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-11-14-3-7-18(11)9-5-16-13(20)17-6-10-19-8-4-15-12(19)2/h3-4,7-8H,5-6,9-10H2,1-2H3,(H2,16,17,20).
What are the key properties of 1,3-bis[2-(2-methylimidazol-1-yl)ethyl]urea?
1,3-bis[2-(2-methylimidazol-1-yl)ethyl]urea has a molecular weight of 276.34 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(2-methylimidazol-1-yl)ethyl]urea is sourced from PubChem (CID 66808741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).