3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole

C10H10N2O — CID 130221965

IUPAC3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole
SMILESc1nc2c3c(ccc2[nH]1)CCCO3
InChIInChI=1S/C10H10N2O/c1-2-7-3-4-8-9(12-6-11-8)10(7)13-5-1/h3-4,6H,1-2,5H2,(H,11,12)
InChIKeyNSQPGZOTFQQRTQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.89
Rot. Bonds

About 3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole

3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole (PubChem CID 130221965) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole.

Molecular Properties

Compound Name3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole
PubChem CID130221965
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole
SMILESc1nc2c3c(ccc2[nH]1)CCCO3
InChIInChI=1S/C10H10N2O/c1-2-7-3-4-8-9(12-6-11-8)10(7)13-5-1/h3-4,6H,1-2,5H2,(H,11,12)
InChIKeyNSQPGZOTFQQRTQ-UHFFFAOYSA-N
XLogP1.89
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole?
The IUPAC name of 3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole (CID 130221965) is 3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole.
What is the SMILES notation for 3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole?
The canonical SMILES for 3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole is c1nc2c3c(ccc2[nH]1)CCCO3.
What is the InChIKey of 3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole?
The InChIKey is NSQPGZOTFQQRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-7-3-4-8-9(12-6-11-8)10(7)13-5-1/h3-4,6H,1-2,5H2,(H,11,12).
What are the key properties of 3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole?
3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole has a molecular weight of 174.20 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole is sourced from PubChem (CID 130221965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).