1,4-dihydroimidazo[4,5-b]indole

C9H7N3 — CID 91316401

IUPAC1,4-dihydroimidazo[4,5-b]indole
SMILESc1ccc2c(c1)[nH]c1nc[nH]c12
InChIInChI=1S/C9H7N3/c1-2-4-7-6(3-1)8-9(12-7)11-5-10-8/h1-5,12H,(H,10,11)
InChIKeyWHHQIVNMUUYKFI-UHFFFAOYSA-N
MW157.18 g/mol
LogP2.04
Rot. Bonds

About 1,4-dihydroimidazo[4,5-b]indole

1,4-dihydroimidazo[4,5-b]indole (PubChem CID 91316401) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 1,4-dihydroimidazo[4,5-b]indole.

Molecular Properties

Compound Name1,4-dihydroimidazo[4,5-b]indole
PubChem CID91316401
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name1,4-dihydroimidazo[4,5-b]indole
SMILESc1ccc2c(c1)[nH]c1nc[nH]c12
InChIInChI=1S/C9H7N3/c1-2-4-7-6(3-1)8-9(12-7)11-5-10-8/h1-5,12H,(H,10,11)
InChIKeyWHHQIVNMUUYKFI-UHFFFAOYSA-N
XLogP2.04
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroimidazo[4,5-b]indole?
The IUPAC name of 1,4-dihydroimidazo[4,5-b]indole (CID 91316401) is 1,4-dihydroimidazo[4,5-b]indole.
What is the SMILES notation for 1,4-dihydroimidazo[4,5-b]indole?
The canonical SMILES for 1,4-dihydroimidazo[4,5-b]indole is c1ccc2c(c1)[nH]c1nc[nH]c12.
What is the InChIKey of 1,4-dihydroimidazo[4,5-b]indole?
The InChIKey is WHHQIVNMUUYKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c1-2-4-7-6(3-1)8-9(12-7)11-5-10-8/h1-5,12H,(H,10,11).
What are the key properties of 1,4-dihydroimidazo[4,5-b]indole?
1,4-dihydroimidazo[4,5-b]indole has a molecular weight of 157.18 g/mol, XLogP of 2.04, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroimidazo[4,5-b]indole is sourced from PubChem (CID 91316401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).