2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea

C11H15N5O2 — CID 83114952

IUPAC2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea
SMILESCOc1ccc2c(c1)nc(N)n2CCNC(N)=O
InChIInChI=1S/C11H15N5O2/c1-18-7-2-3-9-8(6-7)15-10(12)16(9)5-4-14-11(13)17/h2-3,6H,4-5H2,1H3,(H2,12,15)(H3,13,14,17)
InChIKeyVTNZVPJWHCBJOZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.30
Rot. Bonds4

About 2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea

2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea (PubChem CID 83114952) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea.

Molecular Properties

Compound Name2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea
PubChem CID83114952
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea
SMILESCOc1ccc2c(c1)nc(N)n2CCNC(N)=O
InChIInChI=1S/C11H15N5O2/c1-18-7-2-3-9-8(6-7)15-10(12)16(9)5-4-14-11(13)17/h2-3,6H,4-5H2,1H3,(H2,12,15)(H3,13,14,17)
InChIKeyVTNZVPJWHCBJOZ-UHFFFAOYSA-N
XLogP0.30
TPSA108.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea?
The IUPAC name of 2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea (CID 83114952) is 2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea.
What is the SMILES notation for 2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea?
The canonical SMILES for 2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea is COc1ccc2c(c1)nc(N)n2CCNC(N)=O.
What is the InChIKey of 2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea?
The InChIKey is VTNZVPJWHCBJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-18-7-2-3-9-8(6-7)15-10(12)16(9)5-4-14-11(13)17/h2-3,6H,4-5H2,1H3,(H2,12,15)(H3,13,14,17).
What are the key properties of 2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea?
2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea has a molecular weight of 249.27 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea is sourced from PubChem (CID 83114952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).