(4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one

C17H16BrN3O2 — CID 95654799

IUPAC(4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one
SMILESCOc1ccc([C@]2(Cc3ccc(Br)cc3)N=C(N)NC2=O)cc1
InChIInChI=1S/C17H16BrN3O2/c1-23-14-8-4-12(5-9-14)17(15(22)20-16(19)21-17)10-11-2-6-13(18)7-3-11/h2-9H,10H2,1H3,(H3,19,20,21,22)/t17-/m0/s1
InChIKeyISJJCLDEQLWPKJ-KRWDZBQOSA-N
MW374.24 g/mol
LogP2.34
Rot. Bonds4

About (4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one

(4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one (PubChem CID 95654799) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is (4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one
PubChem CID95654799
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name(4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one
SMILESCOc1ccc([C@]2(Cc3ccc(Br)cc3)N=C(N)NC2=O)cc1
InChIInChI=1S/C17H16BrN3O2/c1-23-14-8-4-12(5-9-14)17(15(22)20-16(19)21-17)10-11-2-6-13(18)7-3-11/h2-9H,10H2,1H3,(H3,19,20,21,22)/t17-/m0/s1
InChIKeyISJJCLDEQLWPKJ-KRWDZBQOSA-N
XLogP2.34
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one
CID 95655295
2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one
CID 75358920
(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504597
2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one
CID 44530118
1-bromo-4-methoxybenzene;chromium;formaldehyde
CID 173400891
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995
2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one
CID 25063366
2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid
CID 44530234
1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 101485865
4-bromo-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343343
4-bromo-1-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 28903349
5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine
CID 114073066

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one?
The IUPAC name of (4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one (CID 95654799) is (4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one.
What is the SMILES notation for (4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one?
The canonical SMILES for (4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one is COc1ccc([C@]2(Cc3ccc(Br)cc3)N=C(N)NC2=O)cc1.
What is the InChIKey of (4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one?
The InChIKey is ISJJCLDEQLWPKJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-23-14-8-4-12(5-9-14)17(15(22)20-16(19)21-17)10-11-2-6-13(18)7-3-11/h2-9H,10H2,1H3,(H3,19,20,21,22)/t17-/m0/s1.
What are the key properties of (4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one?
(4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one has a molecular weight of 374.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one is sourced from PubChem (CID 95654799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).