N-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide

C26H32N4O2 — CID 59300814

IUPACN-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide
SMILESCCCCCN1C(=O)C(C)(C)c2cc3c(cc21)nc(NC(=O)c1ccccc1)n3C(C)C
InChIInChI=1S/C26H32N4O2/c1-6-7-11-14-29-21-16-20-22(15-19(21)26(4,5)24(29)32)30(17(2)3)25(27-20)28-23(31)18-12-9-8-10-13-18/h8-10,12-13,15-17H,6-7,11,14H2,1-5H3,(H,27,28,31)
InChIKeyBXRGXAKAILDHBY-UHFFFAOYSA-N
MW432.57 g/mol
LogP5.68
Rot. Bonds7

About N-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide

N-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide (PubChem CID 59300814) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide
PubChem CID59300814
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide
SMILESCCCCCN1C(=O)C(C)(C)c2cc3c(cc21)nc(NC(=O)c1ccccc1)n3C(C)C
InChIInChI=1S/C26H32N4O2/c1-6-7-11-14-29-21-16-20-22(15-19(21)26(4,5)24(29)32)30(17(2)3)25(27-20)28-23(31)18-12-9-8-10-13-18/h8-10,12-13,15-17H,6-7,11,14H2,1-5H3,(H,27,28,31)
InChIKeyBXRGXAKAILDHBY-UHFFFAOYSA-N
XLogP5.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide?
The IUPAC name of N-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide (CID 59300814) is N-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide.
What is the SMILES notation for N-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide?
The canonical SMILES for N-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide is CCCCCN1C(=O)C(C)(C)c2cc3c(cc21)nc(NC(=O)c1ccccc1)n3C(C)C.
What is the InChIKey of N-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide?
The InChIKey is BXRGXAKAILDHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-6-7-11-14-29-21-16-20-22(15-19(21)26(4,5)24(29)32)30(17(2)3)25(27-20)28-23(31)18-12-9-8-10-13-18/h8-10,12-13,15-17H,6-7,11,14H2,1-5H3,(H,27,28,31).
What are the key properties of N-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide?
N-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide has a molecular weight of 432.57 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide is sourced from PubChem (CID 59300814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).