(4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one

C16H14ClN3O — CID 95655641

IUPAC(4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one
SMILESNC1=N[C@](Cc2ccc(Cl)cc2)(c2ccccc2)C(=O)N1
InChIInChI=1S/C16H14ClN3O/c17-13-8-6-11(7-9-13)10-16(12-4-2-1-3-5-12)14(21)19-15(18)20-16/h1-9H,10H2,(H3,18,19,20,21)/t16-/m1/s1
InChIKeyDYAVPIFVRTWXJK-MRXNPFEDSA-N
MW299.76 g/mol
LogP2.22
Rot. Bonds3

About (4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one

(4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one (PubChem CID 95655641) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is (4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one
PubChem CID95655641
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name(4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one
SMILESNC1=N[C@](Cc2ccc(Cl)cc2)(c2ccccc2)C(=O)N1
InChIInChI=1S/C16H14ClN3O/c17-13-8-6-11(7-9-13)10-16(12-4-2-1-3-5-12)14(21)19-15(18)20-16/h1-9H,10H2,(H3,18,19,20,21)/t16-/m1/s1
InChIKeyDYAVPIFVRTWXJK-MRXNPFEDSA-N
XLogP2.22
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one
CID 95655656
(4R)-2-amino-4-benzyl-4-(4-bromophenyl)-1H-imidazol-5-one
CID 95655142
4-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-one
CID 71698156
(4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
CID 95655809
2-amino-4-benzyl-4-(3-nitrophenyl)-1H-imidazol-5-one
CID 75358707
(4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one
CID 95655295
(4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one
CID 95654799
4-[(3-chlorophenyl)methyl]-2,4-diphenyl-1H-imidazol-5-one
CID 71698058
2-amino-4,4-dibenzyl-1H-imidazol-5-one
CID 82988396
(4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
CID 95655308
3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
CID 79451717
2-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]indene-1,3-dione
CID 1337308

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one?
The IUPAC name of (4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one (CID 95655641) is (4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one.
What is the SMILES notation for (4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one?
The canonical SMILES for (4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one is NC1=N[C@](Cc2ccc(Cl)cc2)(c2ccccc2)C(=O)N1.
What is the InChIKey of (4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one?
The InChIKey is DYAVPIFVRTWXJK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-13-8-6-11(7-9-13)10-16(12-4-2-1-3-5-12)14(21)19-15(18)20-16/h1-9H,10H2,(H3,18,19,20,21)/t16-/m1/s1.
What are the key properties of (4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one?
(4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one has a molecular weight of 299.76 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one is sourced from PubChem (CID 95655641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).