2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid

C20H16N4O3 — CID 75445751

IUPAC2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2cc(NC(=O)c3ccc(-n4ccnc4)cc3)ccc21
InChIInChI=1S/C20H16N4O3/c25-19(26)12-23-9-7-15-11-16(3-6-18(15)23)22-20(27)14-1-4-17(5-2-14)24-10-8-21-13-24/h1-11,13H,12H2,(H,22,27)(H,25,26)
InChIKeyYOVWVIRYVJNXJY-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.16
Rot. Bonds5

About 2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid

2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid (PubChem CID 75445751) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid
PubChem CID75445751
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2cc(NC(=O)c3ccc(-n4ccnc4)cc3)ccc21
InChIInChI=1S/C20H16N4O3/c25-19(26)12-23-9-7-15-11-16(3-6-18(15)23)22-20(27)14-1-4-17(5-2-14)24-10-8-21-13-24/h1-11,13H,12H2,(H,22,27)(H,25,26)
InChIKeyYOVWVIRYVJNXJY-UHFFFAOYSA-N
XLogP3.16
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 110445417
4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934
N-(4-imidazol-1-ylphenyl)-3-indol-1-ylpropanamide
CID 37193450
2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid
CID 119235412
2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid
CID 119235392
4-imidazol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
CID 167969913
2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid
CID 119235402
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
4-imidazol-1-yl-N-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
CID 166435239
2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid
CID 119235594
2-[5-[(2-methyl-3-methylsulfanylpropanoyl)amino]indol-1-yl]acetic acid
CID 119235489
N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide
CID 68796040

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid (CID 75445751) is 2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid is O=C(O)Cn1ccc2cc(NC(=O)c3ccc(-n4ccnc4)cc3)ccc21.
What is the InChIKey of 2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid?
The InChIKey is YOVWVIRYVJNXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-19(26)12-23-9-7-15-11-16(3-6-18(15)23)22-20(27)14-1-4-17(5-2-14)24-10-8-21-13-24/h1-11,13H,12H2,(H,22,27)(H,25,26).
What are the key properties of 2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid?
2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid has a molecular weight of 360.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid is sourced from PubChem (CID 75445751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).