N-[7,7-dimethyl-6-oxo-5-(2-oxobutyl)-1H-pyrrolo[2,3-f]benzimidazol-2-yl]benzamide

C22H22N4O3 — CID 59300947

IUPACN-[7,7-dimethyl-6-oxo-5-(2-oxobutyl)-1H-pyrrolo[2,3-f]benzimidazol-2-yl]benzamide
SMILESCCC(=O)CN1C(=O)C(C)(C)c2cc3[nH]c(NC(=O)c4ccccc4)nc3cc21
InChIInChI=1S/C22H22N4O3/c1-4-14(27)12-26-18-11-17-16(10-15(18)22(2,3)20(26)29)23-21(24-17)25-19(28)13-8-6-5-7-9-13/h5-11H,4,12H2,1-3H3,(H2,23,24,25,28)
InChIKeyJXNVSFMQWJUSLB-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.42
Rot. Bonds5

About N-[7,7-dimethyl-6-oxo-5-(2-oxobutyl)-1H-pyrrolo[2,3-f]benzimidazol-2-yl]benzamide

N-[7,7-dimethyl-6-oxo-5-(2-oxobutyl)-1H-pyrrolo[2,3-f]benzimidazol-2-yl]benzamide (PubChem CID 59300947) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[7,7-dimethyl-6-oxo-5-(2-oxobutyl)-1H-pyrrolo[2,3-f]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[7,7-dimethyl-6-oxo-5-(2-oxobutyl)-1H-pyrrolo[2,3-f]benzimidazol-2-yl]benzamide
PubChem CID59300947
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[7,7-dimethyl-6-oxo-5-(2-oxobutyl)-1H-pyrrolo[2,3-f]benzimidazol-2-yl]benzamide
SMILESCCC(=O)CN1C(=O)C(C)(C)c2cc3[nH]c(NC(=O)c4ccccc4)nc3cc21
InChIInChI=1S/C22H22N4O3/c1-4-14(27)12-26-18-11-17-16(10-15(18)22(2,3)20(26)29)23-21(24-17)25-19(28)13-8-6-5-7-9-13/h5-11H,4,12H2,1-3H3,(H2,23,24,25,28)
InChIKeyJXNVSFMQWJUSLB-UHFFFAOYSA-N
XLogP3.42
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7,7-dimethyl-6-oxo-5-(2-oxobutyl)-1H-pyrrolo[2,3-f]benzimidazol-2-yl]benzamide?
The IUPAC name of N-[7,7-dimethyl-6-oxo-5-(2-oxobutyl)-1H-pyrrolo[2,3-f]benzimidazol-2-yl]benzamide (CID 59300947) is N-[7,7-dimethyl-6-oxo-5-(2-oxobutyl)-1H-pyrrolo[2,3-f]benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-[7,7-dimethyl-6-oxo-5-(2-oxobutyl)-1H-pyrrolo[2,3-f]benzimidazol-2-yl]benzamide?
The canonical SMILES for N-[7,7-dimethyl-6-oxo-5-(2-oxobutyl)-1H-pyrrolo[2,3-f]benzimidazol-2-yl]benzamide is CCC(=O)CN1C(=O)C(C)(C)c2cc3[nH]c(NC(=O)c4ccccc4)nc3cc21.
What is the InChIKey of N-[7,7-dimethyl-6-oxo-5-(2-oxobutyl)-1H-pyrrolo[2,3-f]benzimidazol-2-yl]benzamide?
The InChIKey is JXNVSFMQWJUSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-4-14(27)12-26-18-11-17-16(10-15(18)22(2,3)20(26)29)23-21(24-17)25-19(28)13-8-6-5-7-9-13/h5-11H,4,12H2,1-3H3,(H2,23,24,25,28).
What are the key properties of N-[7,7-dimethyl-6-oxo-5-(2-oxobutyl)-1H-pyrrolo[2,3-f]benzimidazol-2-yl]benzamide?
N-[7,7-dimethyl-6-oxo-5-(2-oxobutyl)-1H-pyrrolo[2,3-f]benzimidazol-2-yl]benzamide has a molecular weight of 390.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7,7-dimethyl-6-oxo-5-(2-oxobutyl)-1H-pyrrolo[2,3-f]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 59300947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).