5-amino-3-benzhydrylimidazole-4-carboxylic acid

C17H15N3O2 — CID 19855211

IUPAC5-amino-3-benzhydrylimidazole-4-carboxylic acid
SMILESNc1ncn(C(c2ccccc2)c2ccccc2)c1C(=O)O
InChIInChI=1S/C17H15N3O2/c18-16-15(17(21)22)20(11-19-16)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H,18H2,(H,21,22)
InChIKeyCOLAJAFTNOHFMW-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.80
Rot. Bonds4

About 5-amino-3-benzhydrylimidazole-4-carboxylic acid

5-amino-3-benzhydrylimidazole-4-carboxylic acid (PubChem CID 19855211) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-amino-3-benzhydrylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-benzhydrylimidazole-4-carboxylic acid
PubChem CID19855211
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name5-amino-3-benzhydrylimidazole-4-carboxylic acid
SMILESNc1ncn(C(c2ccccc2)c2ccccc2)c1C(=O)O
InChIInChI=1S/C17H15N3O2/c18-16-15(17(21)22)20(11-19-16)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H,18H2,(H,21,22)
InChIKeyCOLAJAFTNOHFMW-UHFFFAOYSA-N
XLogP2.80
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-benzhydrylimidazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-benzhydrylimidazole-4-carboxylic acid (CID 19855211) is 5-amino-3-benzhydrylimidazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-benzhydrylimidazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-benzhydrylimidazole-4-carboxylic acid is Nc1ncn(C(c2ccccc2)c2ccccc2)c1C(=O)O.
What is the InChIKey of 5-amino-3-benzhydrylimidazole-4-carboxylic acid?
The InChIKey is COLAJAFTNOHFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c18-16-15(17(21)22)20(11-19-16)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H,18H2,(H,21,22).
What are the key properties of 5-amino-3-benzhydrylimidazole-4-carboxylic acid?
5-amino-3-benzhydrylimidazole-4-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-benzhydrylimidazole-4-carboxylic acid is sourced from PubChem (CID 19855211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).