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

C10H11N3O — CID 15054180

IUPAC(4S)-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-/m0/s1
InChIKeyBIRXIIDWAVKMQN-QMMMGPOBSA-N
MW189.22 g/mol
LogP0.04
Rot. Bonds2

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

(4S)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one (PubChem CID 15054180) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (4S)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name(4S)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one
PubChem CID15054180
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(4S)-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-/m0/s1
InChIKeyBIRXIIDWAVKMQN-QMMMGPOBSA-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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Related Compounds

2-Amino-3,5-dihydro-5,5-diphenyl-4H-imidazol-4-one
CID 213731
2-Amino-7-benzyl-3,4a,5,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one
CID 14955691
2-amino-4-(4-fluorophenyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 22426113
N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)propanamide
CID 44371901
4(1H)-Pyrimidinone, tetrahydro-2-imino-6-phenyl-
CID 97864
2-amino-N-methyl-3-phenylpropanamide
CID 437612
(2R)-2-[[amino-(3-phenylpropanoylamino)methylidene]amino]-3-cyclohexyl-N-[(2S)-2-methylbutyl]propanamide
CID 90285937
(2R)-2-[[amino-[(2-phenylacetyl)amino]methylidene]amino]-3-cyclohexyl-N-[(2S)-2-methylbutyl]propanamide
CID 118576348
Valeramide, N-(benzylamidino)-, monohydrochloride
CID 209966
(4R)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one
CID 15054181
N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)acetamide
CID 44371780
(S)-2-Amino-N-methyl-3-phenylpropanamide
CID 10176363

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one?
The IUPAC name of (4S)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one (CID 15054180) is (4S)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for (4S)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for (4S)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one is NC1=N[C@@H](Cc2ccccc2)C(=O)N1.
What is the InChIKey of (4S)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one?
The InChIKey is BIRXIIDWAVKMQN-QMMMGPOBSA-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-/m0/s1.
What are the key properties of (4S)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one?
(4S)-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 (4S)-2-amino-4-benzyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 15054180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).