2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone

C17H16N4O2 — CID 58720114

IUPAC2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESNCC(=O)N1c2ccccc2CC1c1nc2c(O)cccc2[nH]1
InChIInChI=1S/C17H16N4O2/c18-9-15(23)21-12-6-2-1-4-10(12)8-13(21)17-19-11-5-3-7-14(22)16(11)20-17/h1-7,13,22H,8-9,18H2,(H,19,20)
InChIKeyIFKVWIVDHVSIKH-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.86
Rot. Bonds2

About 2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone

2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 58720114) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID58720114
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESNCC(=O)N1c2ccccc2CC1c1nc2c(O)cccc2[nH]1
InChIInChI=1S/C17H16N4O2/c18-9-15(23)21-12-6-2-1-4-10(12)8-13(21)17-19-11-5-3-7-14(22)16(11)20-17/h1-7,13,22H,8-9,18H2,(H,19,20)
InChIKeyIFKVWIVDHVSIKH-UHFFFAOYSA-N
XLogP1.86
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate
CID 58720171
methyl 4-[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazol-4-yl]-4-oxobutanoate
CID 58433117
tert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
CID 58720192
2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid
CID 161285251
tert-butyl N-[1-[2-(1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate
CID 58720123
(2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110701133
2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone
CID 78738416
tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
CID 58720172
1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone
CID 141051025
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide
CID 25229883
2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid
CID 18783850

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone (CID 58720114) is 2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone is NCC(=O)N1c2ccccc2CC1c1nc2c(O)cccc2[nH]1.
What is the InChIKey of 2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is IFKVWIVDHVSIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-9-15(23)21-12-6-2-1-4-10(12)8-13(21)17-19-11-5-3-7-14(22)16(11)20-17/h1-7,13,22H,8-9,18H2,(H,19,20).
What are the key properties of 2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 308.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 58720114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).