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

C20H22N4O — CID 70421400

IUPAC5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4cccnc4)nc3cc21
InChIInChI=1S/C20H22N4O/c1-4-5-9-24-17-11-16-15(10-14(17)20(2,3)19(24)25)22-18(23-16)13-7-6-8-21-12-13/h6-8,10-12H,4-5,9H2,1-3H3,(H,22,23)
InChIKeyZZQMSMGFIQQPJB-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.05
Rot. Bonds4

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

5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 70421400) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID70421400
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4cccnc4)nc3cc21
InChIInChI=1S/C20H22N4O/c1-4-5-9-24-17-11-16-15(10-14(17)20(2,3)19(24)25)22-18(23-16)13-7-6-8-21-12-13/h6-8,10-12H,4-5,9H2,1-3H3,(H,22,23)
InChIKeyZZQMSMGFIQQPJB-UHFFFAOYSA-N
XLogP4.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 70421400) is 5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one is CCCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4cccnc4)nc3cc21.
What is the InChIKey of 5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is ZZQMSMGFIQQPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-4-5-9-24-17-11-16-15(10-14(17)20(2,3)19(24)25)22-18(23-16)13-7-6-8-21-12-13/h6-8,10-12H,4-5,9H2,1-3H3,(H,22,23).
What are the key properties of 5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 334.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 70421400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).