1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one

C26H33N3O — CID 59300787

IUPAC1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCCCCN1C(=O)C(C)(C)c2cc3c(cc21)nc(CCc1ccccc1)n3CC
InChIInChI=1S/C26H33N3O/c1-5-7-11-16-29-22-18-21-23(17-20(22)26(3,4)25(29)30)28(6-2)24(27-21)15-14-19-12-9-8-10-13-19/h8-10,12-13,17-18H,5-7,11,14-16H2,1-4H3
InChIKeyMFPARMZAZZMCOH-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.66
Rot. Bonds8

About 1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one

1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 59300787) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID59300787
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCCCCN1C(=O)C(C)(C)c2cc3c(cc21)nc(CCc1ccccc1)n3CC
InChIInChI=1S/C26H33N3O/c1-5-7-11-16-29-22-18-21-23(17-20(22)26(3,4)25(29)30)28(6-2)24(27-21)15-14-19-12-9-8-10-13-19/h8-10,12-13,17-18H,5-7,11,14-16H2,1-4H3
InChIKeyMFPARMZAZZMCOH-UHFFFAOYSA-N
XLogP5.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one with MolForge

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Related Compounds

N-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide
CID 59300814
7,7-dimethyl-2-(2-phenylethyl)-5-propyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70891665
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
(E)-3-[1-ethyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enal
CID 143019566
1-ethyl-2-pentylbenzimidazole
CID 3463966
2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid
CID 94748100
5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70421400
2-(2-phenylethyl)-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole
CID 134084001
2-cyclohexyl-7,7-dimethyl-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 59300912
pyridin-2-ylmethyl N-(7,7-dimethyl-6-oxo-5-pentyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate
CID 59300737
N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide
CID 16970596
2-butyl-6-cyclopropyl-1-ethylbenzimidazole
CID 170414968

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one (CID 59300787) is 1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one is CCCCCN1C(=O)C(C)(C)c2cc3c(cc21)nc(CCc1ccccc1)n3CC.
What is the InChIKey of 1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is MFPARMZAZZMCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c1-5-7-11-16-29-22-18-21-23(17-20(22)26(3,4)25(29)30)28(6-2)24(27-21)15-14-19-12-9-8-10-13-19/h8-10,12-13,17-18H,5-7,11,14-16H2,1-4H3.
What are the key properties of 1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one?
1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 403.57 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7,7-dimethyl-5-pentyl-2-(2-phenylethyl)pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 59300787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).