N,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid

C24H21N3O4 — CID 174768058

IUPACN,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid
SMILESCc1cc(C(=O)O)cc(C(=O)O)c1.c1ccc(Nc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C15H13N3.C9H8O4/c1-3-7-12(8-4-1)14-11-16-15(18-14)17-13-9-5-2-6-10-13;1-5-2-6(8(10)11)4-7(3-5)9(12)13/h1-11H,(H2,16,17,18);2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyBNUQOMPIZPSLGL-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.21
Rot. Bonds5

About N,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid

N,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid (PubChem CID 174768058) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound NameN,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid
PubChem CID174768058
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid
SMILESCc1cc(C(=O)O)cc(C(=O)O)c1.c1ccc(Nc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C15H13N3.C9H8O4/c1-3-7-12(8-4-1)14-11-16-15(18-14)17-13-9-5-2-6-10-13;1-5-2-6(8(10)11)4-7(3-5)9(12)13/h1-11H,(H2,16,17,18);2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyBNUQOMPIZPSLGL-UHFFFAOYSA-N
XLogP5.21
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(5-phenyl-1H-imidazol-2-yl)carbamate
CID 141231545
2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 131860822
5-methylbenzene-1,3-dicarboxylic acid;5-phenyl-1H-pyrazole-4-carboxylic acid
CID 160620649
N-(2-methyl-5-nitrophenyl)-5-phenyl-1H-imidazol-2-amine
CID 24971010
N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 56930905
N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 56931422
methanamine;5-methylbenzene-1,3-dicarboxylic acid;naphthalene
CID 174704003
ethyl 4-[(5-phenyl-1H-imidazol-2-yl)amino]butanoate
CID 139230574
N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide
CID 154687118
N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide
CID 24971059
N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide
CID 154687110
2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid
CID 174426614

Frequently Asked Questions

What is the IUPAC name of N,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid?
The IUPAC name of N,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid (CID 174768058) is N,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for N,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for N,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid is Cc1cc(C(=O)O)cc(C(=O)O)c1.c1ccc(Nc2ncc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of N,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid?
The InChIKey is BNUQOMPIZPSLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3.C9H8O4/c1-3-7-12(8-4-1)14-11-16-15(18-14)17-13-9-5-2-6-10-13;1-5-2-6(8(10)11)4-7(3-5)9(12)13/h1-11H,(H2,16,17,18);2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of N,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid?
N,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid has a molecular weight of 415.45 g/mol, XLogP of 5.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 174768058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).