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

C12H13N3 — CID 24956883

IUPAC1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2Cc1cnc[nH]1
InChIInChI=1S/C12H13N3/c1-2-4-12-10(3-1)5-6-15(12)8-11-7-13-9-14-11/h1-4,7,9H,5-6,8H2,(H,13,14)
InChIKeyVYUQNNKMTZGJOL-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.97
Rot. Bonds2

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

1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole (PubChem CID 24956883) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole
PubChem CID24956883
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2Cc1cnc[nH]1
InChIInChI=1S/C12H13N3/c1-2-4-12-10(3-1)5-6-15(12)8-11-7-13-9-14-11/h1-4,7,9H,5-6,8H2,(H,13,14)
InChIKeyVYUQNNKMTZGJOL-UHFFFAOYSA-N
XLogP1.97
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.97
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-ylmethyl)-2,3-dihydroindole?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole (CID 24956883) is 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole is c1ccc2c(c1)CCN2Cc1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole?
The InChIKey is VYUQNNKMTZGJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-4-12-10(3-1)5-6-15(12)8-11-7-13-9-14-11/h1-4,7,9H,5-6,8H2,(H,13,14).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole?
1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole has a molecular weight of 199.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole is sourced from PubChem (CID 24956883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).