tert-butyl N-[2-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)ethyl]carbamate

C23H34N4O3 — CID 67425922

IUPACtert-butyl N-[2-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)ethyl]carbamate
SMILESCCCCCN1C(=O)C(C)(C)c2cc3[nH]c(CCNC(=O)OC(C)(C)C)nc3cc21
InChIInChI=1S/C23H34N4O3/c1-7-8-9-12-27-18-14-17-16(13-15(18)23(5,6)20(27)28)25-19(26-17)10-11-24-21(29)30-22(2,3)4/h13-14H,7-12H2,1-6H3,(H,24,29)(H,25,26)
InChIKeyQMBUBYAGRKQTAA-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.44
Rot. Bonds7

About tert-butyl N-[2-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)ethyl]carbamate

tert-butyl N-[2-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)ethyl]carbamate (PubChem CID 67425922) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is tert-butyl N-[2-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)ethyl]carbamate
PubChem CID67425922
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Nametert-butyl N-[2-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)ethyl]carbamate
SMILESCCCCCN1C(=O)C(C)(C)c2cc3[nH]c(CCNC(=O)OC(C)(C)C)nc3cc21
InChIInChI=1S/C23H34N4O3/c1-7-8-9-12-27-18-14-17-16(13-15(18)23(5,6)20(27)28)25-19(26-17)10-11-24-21(29)30-22(2,3)4/h13-14H,7-12H2,1-6H3,(H,24,29)(H,25,26)
InChIKeyQMBUBYAGRKQTAA-UHFFFAOYSA-N
XLogP4.44
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate
CID 59300986
tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate
CID 22414662
tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate
CID 142258214
tert-butyl N-[3-[[N-[2-(1H-benzimidazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111887055
tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate
CID 102970151
tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
CID 57366772
3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)pyrazole-1-carboxamide
CID 173150035
tert-butyl N-[5-(7-bromo-4-oxo-3H-quinazolin-2-yl)pentyl]carbamate
CID 178029382
7,7-dimethyl-5-(3-morpholin-4-ylpropyl)-2-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135540947
tert-butyl N-nonylcarbamate;ethane
CID 168941348
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide
CID 77089120
tert-butyl N-[(6-cyclopropyl-1H-benzimidazol-2-yl)methyl]carbamate
CID 144734219

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)ethyl]carbamate (CID 67425922) is tert-butyl N-[2-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)ethyl]carbamate is CCCCCN1C(=O)C(C)(C)c2cc3[nH]c(CCNC(=O)OC(C)(C)C)nc3cc21.
What is the InChIKey of tert-butyl N-[2-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)ethyl]carbamate?
The InChIKey is QMBUBYAGRKQTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-7-8-9-12-27-18-14-17-16(13-15(18)23(5,6)20(27)28)25-19(26-17)10-11-24-21(29)30-22(2,3)4/h13-14H,7-12H2,1-6H3,(H,24,29)(H,25,26).
What are the key properties of tert-butyl N-[2-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)ethyl]carbamate?
tert-butyl N-[2-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)ethyl]carbamate has a molecular weight of 414.55 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 67425922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).