tert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate

C22H23ClN4O3 — CID 58720192

IUPACtert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1c2ccccc2CC1c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C22H23ClN4O3/c1-22(2,3)30-21(29)24-12-19(28)27-17-7-5-4-6-13(17)10-18(27)20-25-15-9-8-14(23)11-16(15)26-20/h4-9,11,18H,10,12H2,1-3H3,(H,24,29)(H,25,26)
InChIKeyZCDFIMWSHCLIPI-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.37
Rot. Bonds3

About tert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate (PubChem CID 58720192) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
PubChem CID58720192
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Nametert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1c2ccccc2CC1c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C22H23ClN4O3/c1-22(2,3)30-21(29)24-12-19(28)27-17-7-5-4-6-13(17)10-18(27)20-25-15-9-8-14(23)11-16(15)26-20/h4-9,11,18H,10,12H2,1-3H3,(H,24,29)(H,25,26)
InChIKeyZCDFIMWSHCLIPI-UHFFFAOYSA-N
XLogP4.37
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate
CID 58720115
tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
CID 58720172
tert-butyl N-[1-[2-(1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate
CID 58720123
(2R)-5-chloro-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 20716534
tert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
CID 57261215
methyl 2-[[2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-5-propyl-1H-imidazole-4-carbonyl]amino]acetate
CID 58720171
tert-butyl N-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]carbamate
CID 51217085
[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 69256155
tert-butyl N-[(2S)-1-oxo-1-[(2S)-2-(5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate
CID 10982532
3-[(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 124886561
2-amino-1-[2-(4-hydroxy-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone
CID 58720114
[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131930977

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate (CID 58720192) is tert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1c2ccccc2CC1c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of tert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate?
The InChIKey is ZCDFIMWSHCLIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-22(2,3)30-21(29)24-12-19(28)27-17-7-5-4-6-13(17)10-18(27)20-25-15-9-8-14(23)11-16(15)26-20/h4-9,11,18H,10,12H2,1-3H3,(H,24,29)(H,25,26).
What are the key properties of tert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate has a molecular weight of 426.90 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(6-chloro-1H-benzimidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 58720192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).