4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid

C14H11N3O4 — CID 116520237

IUPAC4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid
SMILESCOc1cccc2[nH]cc(C(=O)c3nc[nH]c3C(=O)O)c12
InChIInChI=1S/C14H11N3O4/c1-21-9-4-2-3-8-10(9)7(5-15-8)13(18)11-12(14(19)20)17-6-16-11/h2-6,15H,1H3,(H,16,17)(H,19,20)
InChIKeyBJVHBZXIDIZUJM-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.83
Rot. Bonds4

About 4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid

4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid (PubChem CID 116520237) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid
PubChem CID116520237
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid
SMILESCOc1cccc2[nH]cc(C(=O)c3nc[nH]c3C(=O)O)c12
InChIInChI=1S/C14H11N3O4/c1-21-9-4-2-3-8-10(9)7(5-15-8)13(18)11-12(14(19)20)17-6-16-11/h2-6,15H,1H3,(H,16,17)(H,19,20)
InChIKeyBJVHBZXIDIZUJM-UHFFFAOYSA-N
XLogP1.83
TPSA108.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
4-(3,4-dimethoxybenzoyl)-1H-imidazole-5-carboxylic acid
CID 116520138
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164275
2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid
CID 83162648
(E)-3-(4-methoxy-1H-indol-3-yl)but-2-enoic acid
CID 82277542
4-(5-chloro-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid
CID 116520196
(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107096221
(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164261
(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950032

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid (CID 116520237) is 4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid is COc1cccc2[nH]cc(C(=O)c3nc[nH]c3C(=O)O)c12.
What is the InChIKey of 4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is BJVHBZXIDIZUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c1-21-9-4-2-3-8-10(9)7(5-15-8)13(18)11-12(14(19)20)17-6-16-11/h2-6,15H,1H3,(H,16,17)(H,19,20).
What are the key properties of 4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid?
4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 116520237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).