5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one

C20H20N6O — CID 135487519

IUPAC5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)N(CCN)c2cc3nc(-c4n[nH]c5ccccc45)[nH]c3cc21
InChIInChI=1S/C20H20N6O/c1-20(2)12-9-14-15(10-16(12)26(8-7-21)19(20)27)23-18(22-14)17-11-5-3-4-6-13(11)24-25-17/h3-6,9-10H,7-8,21H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyOYFXAKIODFYLSP-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.69
Rot. Bonds3

About 5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one

5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 135487519) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID135487519
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)N(CCN)c2cc3nc(-c4n[nH]c5ccccc45)[nH]c3cc21
InChIInChI=1S/C20H20N6O/c1-20(2)12-9-14-15(10-16(12)26(8-7-21)19(20)27)23-18(22-14)17-11-5-3-4-6-13(11)24-25-17/h3-6,9-10H,7-8,21H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyOYFXAKIODFYLSP-UHFFFAOYSA-N
XLogP2.69
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 135487519) is 5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one is CC1(C)C(=O)N(CCN)c2cc3nc(-c4n[nH]c5ccccc45)[nH]c3cc21.
What is the InChIKey of 5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is OYFXAKIODFYLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-20(2)12-9-14-15(10-16(12)26(8-7-21)19(20)27)23-18(22-14)17-11-5-3-4-6-13(11)24-25-17/h3-6,9-10H,7-8,21H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 360.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-(1H-indazol-3-yl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 135487519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).