(4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one

C10H11N3O — CID 15054181

IUPAC(4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one
SMILESNC1=N[C@H](Cc2ccccc2)C(=O)N1
InChIInChI=1S/C10H11N3O/c11-10-12-8(9(14)13-10)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H3,11,12,13,14)/t8-/m1/s1
InChIKeyBIRXIIDWAVKMQN-MRVPVSSYSA-N
MW189.22 g/mol
LogP0.04
Rot. Bonds2

About (4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one

(4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one (PubChem CID 15054181) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name(4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one
PubChem CID15054181
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one
SMILESNC1=N[C@H](Cc2ccccc2)C(=O)N1
InChIInChI=1S/C10H11N3O/c11-10-12-8(9(14)13-10)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H3,11,12,13,14)/t8-/m1/s1
InChIKeyBIRXIIDWAVKMQN-MRVPVSSYSA-N
XLogP0.04
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one?
The IUPAC name of (4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one (CID 15054181) is (4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for (4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for (4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one is NC1=N[C@H](Cc2ccccc2)C(=O)N1.
What is the InChIKey of (4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one?
The InChIKey is BIRXIIDWAVKMQN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-10-12-8(9(14)13-10)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H3,11,12,13,14)/t8-/m1/s1.
What are the key properties of (4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one?
(4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one has a molecular weight of 189.22 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 15054181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).