2-(2-oxo-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)acetonitrile

C10H7N5O — CID 5220601

IUPAC2-(2-oxo-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)acetonitrile
SMILESN#CCc1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1
InChIInChI=1S/C10H7N5O/c11-2-1-9-12-5-3-7-8(4-6(5)13-9)15-10(16)14-7/h3-4H,1H2,(H,12,13)(H2,14,15,16)
InChIKeyUHZATFMHRBSFQY-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.80
Rot. Bonds1

About 2-(2-oxo-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)acetonitrile

2-(2-oxo-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)acetonitrile (PubChem CID 5220601) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-(2-oxo-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-oxo-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)acetonitrile
PubChem CID5220601
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name2-(2-oxo-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)acetonitrile
SMILESN#CCc1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1
InChIInChI=1S/C10H7N5O/c11-2-1-9-12-5-3-7-8(4-6(5)13-9)15-10(16)14-7/h3-4H,1H2,(H,12,13)(H2,14,15,16)
InChIKeyUHZATFMHRBSFQY-UHFFFAOYSA-N
XLogP0.80
TPSA101.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)acetonitrile?
The IUPAC name of 2-(2-oxo-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)acetonitrile (CID 5220601) is 2-(2-oxo-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)acetonitrile.
What is the SMILES notation for 2-(2-oxo-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)acetonitrile?
The canonical SMILES for 2-(2-oxo-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)acetonitrile is N#CCc1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1.
What is the InChIKey of 2-(2-oxo-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)acetonitrile?
The InChIKey is UHZATFMHRBSFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c11-2-1-9-12-5-3-7-8(4-6(5)13-9)15-10(16)14-7/h3-4H,1H2,(H,12,13)(H2,14,15,16).
What are the key properties of 2-(2-oxo-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)acetonitrile?
2-(2-oxo-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)acetonitrile has a molecular weight of 213.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)acetonitrile is sourced from PubChem (CID 5220601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).