1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole

C13H15N3 — CID 24896448

IUPAC1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole
SMILESCc1cccc2c1N(Cc1ncc[nH]1)CC2
InChIInChI=1S/C13H15N3/c1-10-3-2-4-11-5-8-16(13(10)11)9-12-14-6-7-15-12/h2-4,6-7H,5,8-9H2,1H3,(H,14,15)
InChIKeyOJBYMYKWHWDLFC-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.28
Rot. Bonds2

About 1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole

1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole (PubChem CID 24896448) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole
PubChem CID24896448
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole
SMILESCc1cccc2c1N(Cc1ncc[nH]1)CC2
InChIInChI=1S/C13H15N3/c1-10-3-2-4-11-5-8-16(13(10)11)9-12-14-6-7-15-12/h2-4,6-7H,5,8-9H2,1H3,(H,14,15)
InChIKeyOJBYMYKWHWDLFC-UHFFFAOYSA-N
XLogP2.28
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole (CID 24896448) is 1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole is Cc1cccc2c1N(Cc1ncc[nH]1)CC2.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole?
The InChIKey is OJBYMYKWHWDLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-3-2-4-11-5-8-16(13(10)11)9-12-14-6-7-15-12/h2-4,6-7H,5,8-9H2,1H3,(H,14,15).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole?
1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole has a molecular weight of 213.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole is sourced from PubChem (CID 24896448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).