5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

C23H22N4O — CID 70420825

IUPAC5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)N(Cc2ccccc2)c2cc3c(cc21)NC(c1ccncc1)N3
InChIInChI=1S/C23H22N4O/c1-23(2)17-12-18-19(26-21(25-18)16-8-10-24-11-9-16)13-20(17)27(22(23)28)14-15-6-4-3-5-7-15/h3-13,21,25-26H,14H2,1-2H3
InChIKeySXAXKPQCSARVIT-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.44
Rot. Bonds3

About 5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 70420825) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID70420825
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)N(Cc2ccccc2)c2cc3c(cc21)NC(c1ccncc1)N3
InChIInChI=1S/C23H22N4O/c1-23(2)17-12-18-19(26-21(25-18)16-8-10-24-11-9-16)13-20(17)27(22(23)28)14-15-6-4-3-5-7-15/h3-13,21,25-26H,14H2,1-2H3
InChIKeySXAXKPQCSARVIT-UHFFFAOYSA-N
XLogP4.44
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 70420825) is 5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is CC1(C)C(=O)N(Cc2ccccc2)c2cc3c(cc21)NC(c1ccncc1)N3.
What is the InChIKey of 5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is SXAXKPQCSARVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-23(2)17-12-18-19(26-21(25-18)16-8-10-24-11-9-16)13-20(17)27(22(23)28)14-15-6-4-3-5-7-15/h3-13,21,25-26H,14H2,1-2H3.
What are the key properties of 5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 370.46 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 70420825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).