(4,5-dihydro-1H-imidazol-2-ylamino) benzoate

C10H11N3O2 — CID 11593667

IUPAC(4,5-dihydro-1H-imidazol-2-ylamino) benzoate
SMILESO=C(ONC1=NCCN1)c1ccccc1
InChIInChI=1S/C10H11N3O2/c14-9(8-4-2-1-3-5-8)15-13-10-11-6-7-12-10/h1-5H,6-7H2,(H2,11,12,13)
InChIKeyWZIASXFUZUJFQC-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.31
Rot. Bonds1

About (4,5-dihydro-1H-imidazol-2-ylamino) benzoate

(4,5-dihydro-1H-imidazol-2-ylamino) benzoate (PubChem CID 11593667) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (4,5-dihydro-1H-imidazol-2-ylamino) benzoate.

Molecular Properties

Compound Name(4,5-dihydro-1H-imidazol-2-ylamino) benzoate
PubChem CID11593667
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(4,5-dihydro-1H-imidazol-2-ylamino) benzoate
SMILESO=C(ONC1=NCCN1)c1ccccc1
InChIInChI=1S/C10H11N3O2/c14-9(8-4-2-1-3-5-8)15-13-10-11-6-7-12-10/h1-5H,6-7H2,(H2,11,12,13)
InChIKeyWZIASXFUZUJFQC-UHFFFAOYSA-N
XLogP0.31
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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[(1,4-Dichloro-4,5-dihydroimidazol-2-yl)amino] benzoate
CID 91257729
(2-Isocyanatoethylamino) benzoate
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Creatininium benzoate
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4,5-dihydro-1H-imidazol-2-yl benzoate
CID 19981110
2,5-dihydro-1H-pyrrol-1-ium benzoate
CID 20458176
Piperazin-1-yl benzoate
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1-methyl-1H-imidazol-1-ium benzoate
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Frequently Asked Questions

What is the IUPAC name of (4,5-dihydro-1H-imidazol-2-ylamino) benzoate?
The IUPAC name of (4,5-dihydro-1H-imidazol-2-ylamino) benzoate (CID 11593667) is (4,5-dihydro-1H-imidazol-2-ylamino) benzoate.
What is the SMILES notation for (4,5-dihydro-1H-imidazol-2-ylamino) benzoate?
The canonical SMILES for (4,5-dihydro-1H-imidazol-2-ylamino) benzoate is O=C(ONC1=NCCN1)c1ccccc1.
What is the InChIKey of (4,5-dihydro-1H-imidazol-2-ylamino) benzoate?
The InChIKey is WZIASXFUZUJFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-9(8-4-2-1-3-5-8)15-13-10-11-6-7-12-10/h1-5H,6-7H2,(H2,11,12,13).
What are the key properties of (4,5-dihydro-1H-imidazol-2-ylamino) benzoate?
(4,5-dihydro-1H-imidazol-2-ylamino) benzoate has a molecular weight of 205.22 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dihydro-1H-imidazol-2-ylamino) benzoate is sourced from PubChem (CID 11593667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).