7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

C36H36N8O2 — CID 70494309

IUPAC7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCC(C)CC1C(=O)Nc2cc3nc(-c4cccnc4)[nH]c3cc21.CC(C)CC1C(=O)Nc2cc3nc(-c4ccncc4)[nH]c3cc21
InChIInChI=1S/2C18H18N4O/c1-10(2)7-13-12-8-15-16(9-14(12)22-18(13)23)21-17(20-15)11-3-5-19-6-4-11;1-10(2)6-13-12-7-15-16(8-14(12)22-18(13)23)21-17(20-15)11-4-3-5-19-9-11/h3-6,8-10,13H,7H2,1-2H3,(H,20,21)(H,22,23);3-5,7-10,13H,6H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyCFPXYIYKPKTQQN-UHFFFAOYSA-N
MW612.74 g/mol
LogP7.41
Rot. Bonds6

About 7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 70494309) has the molecular formula C36H36N8O2 and a molecular weight of 612.74 g/mol. Its IUPAC name is 7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID70494309
Molecular FormulaC36H36N8O2
Molecular Weight612.74 g/mol
Exact Mass612.30
IUPAC Name7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCC(C)CC1C(=O)Nc2cc3nc(-c4cccnc4)[nH]c3cc21.CC(C)CC1C(=O)Nc2cc3nc(-c4ccncc4)[nH]c3cc21
InChIInChI=1S/2C18H18N4O/c1-10(2)7-13-12-8-15-16(9-14(12)22-18(13)23)21-17(20-15)11-3-5-19-6-4-11;1-10(2)6-13-12-7-15-16(8-14(12)22-18(13)23)21-17(20-15)11-4-3-5-19-9-11/h3-6,8-10,13H,7H2,1-2H3,(H,20,21)(H,22,23);3-5,7-10,13H,6H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyCFPXYIYKPKTQQN-UHFFFAOYSA-N
XLogP7.41
TPSA141.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 57.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 70494309) is 7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is CC(C)CC1C(=O)Nc2cc3nc(-c4cccnc4)[nH]c3cc21.CC(C)CC1C(=O)Nc2cc3nc(-c4ccncc4)[nH]c3cc21.
What is the InChIKey of 7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is CFPXYIYKPKTQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H18N4O/c1-10(2)7-13-12-8-15-16(9-14(12)22-18(13)23)21-17(20-15)11-3-5-19-6-4-11;1-10(2)6-13-12-7-15-16(8-14(12)22-18(13)23)21-17(20-15)11-4-3-5-19-9-11/h3-6,8-10,13H,7H2,1-2H3,(H,20,21)(H,22,23);3-5,7-10,13H,6H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 612.74 g/mol, XLogP of 7.41, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-2-pyridin-3-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one;7-(2-methylpropyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 70494309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).