2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid

C14H13N3O3 — CID 156795910

IUPAC2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid
SMILESCN1C=C(C(=O)O)NC1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H13N3O3/c1-17-7-11(14(19)20)16-13(17)12(18)9-6-15-10-5-3-2-4-8(9)10/h2-7,13,15-16H,1H3,(H,19,20)
InChIKeyGMZAMSKVEJGIDM-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.14
Rot. Bonds3

About 2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid

2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid (PubChem CID 156795910) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid
PubChem CID156795910
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid
SMILESCN1C=C(C(=O)O)NC1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H13N3O3/c1-17-7-11(14(19)20)16-13(17)12(18)9-6-15-10-5-3-2-4-8(9)10/h2-7,13,15-16H,1H3,(H,19,20)
InChIKeyGMZAMSKVEJGIDM-UHFFFAOYSA-N
XLogP1.14
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl(1H-indol-3-yl)methanone
CID 965839
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
N,N-diethyl-4-(1H-indole-3-carbonyl)piperidine-1-carboxamide
CID 110643519
1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114096973
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
(3-aminocyclobutyl)-(1H-indol-3-yl)methanone
CID 116917713
(2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one
CID 34134673
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
1H-indol-3-yl(oxolan-3-yl)methanone
CID 61272977
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid?
The IUPAC name of 2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid (CID 156795910) is 2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid?
The canonical SMILES for 2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid is CN1C=C(C(=O)O)NC1C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid?
The InChIKey is GMZAMSKVEJGIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-17-7-11(14(19)20)16-13(17)12(18)9-6-15-10-5-3-2-4-8(9)10/h2-7,13,15-16H,1H3,(H,19,20).
What are the key properties of 2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid?
2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid is sourced from PubChem (CID 156795910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).