2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid

C18H18N4O3 — CID 161285251

IUPAC2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid
SMILESNCC(=O)N1c2ccccc2CC1C1(C(=O)O)Nc2ccccc2N1
InChIInChI=1S/C18H18N4O3/c19-10-16(23)22-14-8-4-1-5-11(14)9-15(22)18(17(24)25)20-12-6-2-3-7-13(12)21-18/h1-8,15,20-21H,9-10,19H2,(H,24,25)
InChIKeyVFPYCZFGXVSLJI-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.22
Rot. Bonds3

About 2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid

2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid (PubChem CID 161285251) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid
PubChem CID161285251
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid
SMILESNCC(=O)N1c2ccccc2CC1C1(C(=O)O)Nc2ccccc2N1
InChIInChI=1S/C18H18N4O3/c19-10-16(23)22-14-8-4-1-5-11(14)9-15(22)18(17(24)25)20-12-6-2-3-7-13(12)21-18/h1-8,15,20-21H,9-10,19H2,(H,24,25)
InChIKeyVFPYCZFGXVSLJI-UHFFFAOYSA-N
XLogP1.22
TPSA107.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone
CID 58720114
2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide
CID 175773827
1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 79854015
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43437065
1-(2-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
CID 141018031
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 4790412
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55034928
1-[3-[[3-(2-carboxy-2,3-dihydroindol-1-yl)-3-oxopropyl]disulfanyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 12764263
2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid
CID 175545746
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
CID 167989914

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid?
The IUPAC name of 2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid (CID 161285251) is 2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid.
What is the SMILES notation for 2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid?
The canonical SMILES for 2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid is NCC(=O)N1c2ccccc2CC1C1(C(=O)O)Nc2ccccc2N1.
What is the InChIKey of 2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid?
The InChIKey is VFPYCZFGXVSLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c19-10-16(23)22-14-8-4-1-5-11(14)9-15(22)18(17(24)25)20-12-6-2-3-7-13(12)21-18/h1-8,15,20-21H,9-10,19H2,(H,24,25).
What are the key properties of 2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid?
2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid has a molecular weight of 338.37 g/mol, XLogP of 1.22, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid is sourced from PubChem (CID 161285251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).