ethyl 4-amino-2-(4-phenylphenyl)-1H-imidazole-5-carboxylate;hydrochloride

C18H18ClN3O2 — CID 44523172

IUPACethyl 4-amino-2-(4-phenylphenyl)-1H-imidazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1[nH]c(-c2ccc(-c3ccccc3)cc2)nc1N.Cl
InChIInChI=1S/C18H17N3O2.ClH/c1-2-23-18(22)15-16(19)21-17(20-15)14-10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-11H,2,19H2,1H3,(H,20,21);1H
InChIKeyOFGCPCWTJADHEA-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.92
Rot. Bonds4

About ethyl 4-amino-2-(4-phenylphenyl)-1H-imidazole-5-carboxylate;hydrochloride

ethyl 4-amino-2-(4-phenylphenyl)-1H-imidazole-5-carboxylate;hydrochloride (PubChem CID 44523172) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is ethyl 4-amino-2-(4-phenylphenyl)-1H-imidazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-amino-2-(4-phenylphenyl)-1H-imidazole-5-carboxylate;hydrochloride
PubChem CID44523172
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Nameethyl 4-amino-2-(4-phenylphenyl)-1H-imidazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1[nH]c(-c2ccc(-c3ccccc3)cc2)nc1N.Cl
InChIInChI=1S/C18H17N3O2.ClH/c1-2-23-18(22)15-16(19)21-17(20-15)14-10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-11H,2,19H2,1H3,(H,20,21);1H
InChIKeyOFGCPCWTJADHEA-UHFFFAOYSA-N
XLogP3.92
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(cyclohexylcarbamothioylamino)-2-phenyl-1H-imidazole-5-carboxylate
CID 44522668
ethyl 4-amino-2-(3-fluorophenyl)-1H-imidazole-5-carboxylate;hydrochloride
CID 44523169
ethyl 4-[[2-(4-butylphenyl)-5-ethoxycarbonyl-1H-imidazol-4-yl]carbamoylamino]-2-phenyl-1H-imidazole-5-carboxylate
CID 44532992
methyl 5-tert-butyl-2-(4-methylphenyl)-1H-imidazole-4-carboxylate
CID 51361223
ethyl 2-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 162659554
methyl 2-tert-butyl-4-[(4-methylphenyl)carbamoylamino]-1H-imidazole-5-carboxylate
CID 44326500
Brl 51242
CID 135443540
Ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate
CID 560705
ethyl 2-(2-methylphenyl)-5-(trifluoromethyl)-1H-imidazole-4-carboxylate
CID 139095846
Ethyl 2-phenyl-1H-imidazole-5-carboxylate
CID 1512596
dimethyl 2-phenyl-1H-imidazole-4,5-dicarboxylate
CID 10332819
Ethyl 5-amino-1-benzyl-2-methylimidazole-4-carboxylate
CID 10682711

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(4-phenylphenyl)-1H-imidazole-5-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-amino-2-(4-phenylphenyl)-1H-imidazole-5-carboxylate;hydrochloride (CID 44523172) is ethyl 4-amino-2-(4-phenylphenyl)-1H-imidazole-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-amino-2-(4-phenylphenyl)-1H-imidazole-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-amino-2-(4-phenylphenyl)-1H-imidazole-5-carboxylate;hydrochloride is CCOC(=O)c1[nH]c(-c2ccc(-c3ccccc3)cc2)nc1N.Cl.
What is the InChIKey of ethyl 4-amino-2-(4-phenylphenyl)-1H-imidazole-5-carboxylate;hydrochloride?
The InChIKey is OFGCPCWTJADHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2.ClH/c1-2-23-18(22)15-16(19)21-17(20-15)14-10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-11H,2,19H2,1H3,(H,20,21);1H.
What are the key properties of ethyl 4-amino-2-(4-phenylphenyl)-1H-imidazole-5-carboxylate;hydrochloride?
ethyl 4-amino-2-(4-phenylphenyl)-1H-imidazole-5-carboxylate;hydrochloride has a molecular weight of 343.81 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(4-phenylphenyl)-1H-imidazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 44523172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).