5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole

C18H23N5 — CID 141136916

IUPAC5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole
SMILESCCCc1cc(-c2nc3cc4c(cc3[nH]2)C(C)(C)CN4C)n[nH]1
InChIInChI=1S/C18H23N5/c1-5-6-11-7-15(22-21-11)17-19-13-8-12-16(9-14(13)20-17)23(4)10-18(12,2)3/h7-9H,5-6,10H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyLWWTTXXDMXEMFZ-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.63
Rot. Bonds3

About 5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole

5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole (PubChem CID 141136916) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole.

Molecular Properties

Compound Name5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole
PubChem CID141136916
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole
SMILESCCCc1cc(-c2nc3cc4c(cc3[nH]2)C(C)(C)CN4C)n[nH]1
InChIInChI=1S/C18H23N5/c1-5-6-11-7-15(22-21-11)17-19-13-8-12-16(9-14(13)20-17)23(4)10-18(12,2)3/h7-9H,5-6,10H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyLWWTTXXDMXEMFZ-UHFFFAOYSA-N
XLogP3.63
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole?
The IUPAC name of 5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole (CID 141136916) is 5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole.
What is the SMILES notation for 5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole?
The canonical SMILES for 5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole is CCCc1cc(-c2nc3cc4c(cc3[nH]2)C(C)(C)CN4C)n[nH]1.
What is the InChIKey of 5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole?
The InChIKey is LWWTTXXDMXEMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-5-6-11-7-15(22-21-11)17-19-13-8-12-16(9-14(13)20-17)23(4)10-18(12,2)3/h7-9H,5-6,10H2,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole?
5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole has a molecular weight of 309.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-trimethyl-2-(5-propyl-1H-pyrazol-3-yl)-1,6-dihydropyrrolo[2,3-f]benzimidazole is sourced from PubChem (CID 141136916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).