[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methanamine

C13H15N3 — CID 65404099

IUPAC[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(C2Cc3ccccc3C2)[nH]1
InChIInChI=1S/C13H15N3/c14-7-12-8-15-13(16-12)11-5-9-3-1-2-4-10(9)6-11/h1-4,8,11H,5-7,14H2,(H,15,16)
InChIKeyKTCBYZDYRFBZDQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.75
Rot. Bonds2

About [2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methanamine

[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methanamine (PubChem CID 65404099) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methanamine
PubChem CID65404099
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(C2Cc3ccccc3C2)[nH]1
InChIInChI=1S/C13H15N3/c14-7-12-8-15-13(16-12)11-5-9-3-1-2-4-10(9)6-11/h1-4,8,11H,5-7,14H2,(H,15,16)
InChIKeyKTCBYZDYRFBZDQ-UHFFFAOYSA-N
XLogP1.75
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methanamine (CID 65404099) is [2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methanamine is NCc1cnc(C2Cc3ccccc3C2)[nH]1.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methanamine?
The InChIKey is KTCBYZDYRFBZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-7-12-8-15-13(16-12)11-5-9-3-1-2-4-10(9)6-11/h1-4,8,11H,5-7,14H2,(H,15,16).
What are the key properties of [2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methanamine?
[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methanamine has a molecular weight of 213.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 65404099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).