[2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone

C23H18ClN3O2 — CID 102235937

IUPAC[2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone
SMILESNc1nc(-c2ccc(OCc3ccccc3)cc2)c(C(=O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C23H18ClN3O2/c24-18-10-6-17(7-11-18)22(28)21-20(26-23(25)27-21)16-8-12-19(13-9-16)29-14-15-4-2-1-3-5-15/h1-13H,14H2,(H3,25,26,27)
InChIKeyBEFFHOIMCLSLEV-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.12
Rot. Bonds6

About [2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone

[2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone (PubChem CID 102235937) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is [2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone
PubChem CID102235937
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name[2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone
SMILESNc1nc(-c2ccc(OCc3ccccc3)cc2)c(C(=O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C23H18ClN3O2/c24-18-10-6-17(7-11-18)22(28)21-20(26-23(25)27-21)16-8-12-19(13-9-16)29-14-15-4-2-1-3-5-15/h1-13H,14H2,(H3,25,26,27)
InChIKeyBEFFHOIMCLSLEV-UHFFFAOYSA-N
XLogP5.12
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one
CID 135435151
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
(Z)-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methylidene]hydrazine
CID 134121607
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone
CID 13162273
4-phenylmethoxybenzoic acid
CID 68896574
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
CID 146594775
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
2-[4-[[4-(2-amino-5-chlorobenzoyl)phenoxy]methyl]phenoxy]acetic acid
CID 172830442

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone (CID 102235937) is [2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone is Nc1nc(-c2ccc(OCc3ccccc3)cc2)c(C(=O)c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of [2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone?
The InChIKey is BEFFHOIMCLSLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-18-10-6-17(7-11-18)22(28)21-20(26-23(25)27-21)16-8-12-19(13-9-16)29-14-15-4-2-1-3-5-15/h1-13H,14H2,(H3,25,26,27).
What are the key properties of [2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone?
[2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone has a molecular weight of 403.87 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 102235937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).