1-(1H-imidazol-5-yl)-2,3-dihydroindole

C11H11N3 — CID 54328631

IUPAC1-(1H-imidazol-5-yl)-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2c1cnc[nH]1
InChIInChI=1S/C11H11N3/c1-2-4-10-9(3-1)5-6-14(10)11-7-12-8-13-11/h1-4,7-8H,5-6H2,(H,12,13)
InChIKeySWSZVDPZRGCFCT-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.10
Rot. Bonds1

About 1-(1H-imidazol-5-yl)-2,3-dihydroindole

1-(1H-imidazol-5-yl)-2,3-dihydroindole (PubChem CID 54328631) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-2,3-dihydroindole
PubChem CID54328631
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name1-(1H-imidazol-5-yl)-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2c1cnc[nH]1
InChIInChI=1S/C11H11N3/c1-2-4-10-9(3-1)5-6-14(10)11-7-12-8-13-11/h1-4,7-8H,5-6H2,(H,12,13)
InChIKeySWSZVDPZRGCFCT-UHFFFAOYSA-N
XLogP2.10
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-2,3-dihydroindole?
The IUPAC name of 1-(1H-imidazol-5-yl)-2,3-dihydroindole (CID 54328631) is 1-(1H-imidazol-5-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(1H-imidazol-5-yl)-2,3-dihydroindole is c1ccc2c(c1)CCN2c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-2,3-dihydroindole?
The InChIKey is SWSZVDPZRGCFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-2-4-10-9(3-1)5-6-14(10)11-7-12-8-13-11/h1-4,7-8H,5-6H2,(H,12,13).
What are the key properties of 1-(1H-imidazol-5-yl)-2,3-dihydroindole?
1-(1H-imidazol-5-yl)-2,3-dihydroindole has a molecular weight of 185.23 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-2,3-dihydroindole is sourced from PubChem (CID 54328631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).