7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride

C11H15Cl2N3 — CID 19852053

IUPAC7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride
SMILESCC1(C)CNc2cc3nc[nH]c3cc21.Cl.Cl
InChIInChI=1S/C11H13N3.2ClH/c1-11(2)5-12-8-4-10-9(3-7(8)11)13-6-14-10;;/h3-4,6,12H,5H2,1-2H3,(H,13,14);2*1H
InChIKeyCWCDWKTVRQKXLI-UHFFFAOYSA-N
MW260.17 g/mol
LogP3.11
Rot. Bonds

About 7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride

7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride (PubChem CID 19852053) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride.

Molecular Properties

Compound Name7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride
PubChem CID19852053
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride
SMILESCC1(C)CNc2cc3nc[nH]c3cc21.Cl.Cl
InChIInChI=1S/C11H13N3.2ClH/c1-11(2)5-12-8-4-10-9(3-7(8)11)13-6-14-10;;/h3-4,6,12H,5H2,1-2H3,(H,13,14);2*1H
InChIKeyCWCDWKTVRQKXLI-UHFFFAOYSA-N
XLogP3.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride?
The IUPAC name of 7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride (CID 19852053) is 7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride.
What is the SMILES notation for 7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride?
The canonical SMILES for 7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride is CC1(C)CNc2cc3nc[nH]c3cc21.Cl.Cl.
What is the InChIKey of 7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride?
The InChIKey is CWCDWKTVRQKXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.2ClH/c1-11(2)5-12-8-4-10-9(3-7(8)11)13-6-14-10;;/h3-4,6,12H,5H2,1-2H3,(H,13,14);2*1H.
What are the key properties of 7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride?
7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride has a molecular weight of 260.17 g/mol, XLogP of 3.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride is sourced from PubChem (CID 19852053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).