1-(1H-imidazol-2-yl)-N-[2-(3H-inden-1-yl)ethyl]methanimine

C15H15N3 — CID 137050033

IUPAC1-(1H-imidazol-2-yl)-N-[2-(3H-inden-1-yl)ethyl]methanimine
SMILESC1=C(CC/N=C/c2ncc[nH]2)c2ccccc2C1
InChIInChI=1S/C15H15N3/c1-2-4-14-12(3-1)5-6-13(14)7-8-16-11-15-17-9-10-18-15/h1-4,6,9-11H,5,7-8H2,(H,17,18)/b16-11+
InChIKeyFSHDDQCMURCAPL-LFIBNONCSA-N
MW237.31 g/mol
LogP2.86
Rot. Bonds4

About 1-(1H-imidazol-2-yl)-N-[2-(3H-inden-1-yl)ethyl]methanimine

1-(1H-imidazol-2-yl)-N-[2-(3H-inden-1-yl)ethyl]methanimine (PubChem CID 137050033) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N-[2-(3H-inden-1-yl)ethyl]methanimine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N-[2-(3H-inden-1-yl)ethyl]methanimine
PubChem CID137050033
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name1-(1H-imidazol-2-yl)-N-[2-(3H-inden-1-yl)ethyl]methanimine
SMILESC1=C(CC/N=C/c2ncc[nH]2)c2ccccc2C1
InChIInChI=1S/C15H15N3/c1-2-4-14-12(3-1)5-6-13(14)7-8-16-11-15-17-9-10-18-15/h1-4,6,9-11H,5,7-8H2,(H,17,18)/b16-11+
InChIKeyFSHDDQCMURCAPL-LFIBNONCSA-N
XLogP2.86
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-N-[2-(3H-inden-1-yl)ethyl]methanimine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N-[2-(3H-inden-1-yl)ethyl]methanimine (CID 137050033) is 1-(1H-imidazol-2-yl)-N-[2-(3H-inden-1-yl)ethyl]methanimine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N-[2-(3H-inden-1-yl)ethyl]methanimine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N-[2-(3H-inden-1-yl)ethyl]methanimine is C1=C(CC/N=C/c2ncc[nH]2)c2ccccc2C1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N-[2-(3H-inden-1-yl)ethyl]methanimine?
The InChIKey is FSHDDQCMURCAPL-LFIBNONCSA-N. The full InChI is InChI=1S/C15H15N3/c1-2-4-14-12(3-1)5-6-13(14)7-8-16-11-15-17-9-10-18-15/h1-4,6,9-11H,5,7-8H2,(H,17,18)/b16-11+.
What are the key properties of 1-(1H-imidazol-2-yl)-N-[2-(3H-inden-1-yl)ethyl]methanimine?
1-(1H-imidazol-2-yl)-N-[2-(3H-inden-1-yl)ethyl]methanimine has a molecular weight of 237.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N-[2-(3H-inden-1-yl)ethyl]methanimine is sourced from PubChem (CID 137050033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).