1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine

C16H22N4 — CID 58720157

IUPAC1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine
SMILESCCc1cnc(C2Cc3ccccc3N2CC(C)N)[nH]1
InChIInChI=1S/C16H22N4/c1-3-13-9-18-16(19-13)15-8-12-6-4-5-7-14(12)20(15)10-11(2)17/h4-7,9,11,15H,3,8,10,17H2,1-2H3,(H,18,19)
InChIKeyGBHNVJPOIOYFNT-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.42
Rot. Bonds4

About 1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine

1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine (PubChem CID 58720157) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine
PubChem CID58720157
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine
SMILESCCc1cnc(C2Cc3ccccc3N2CC(C)N)[nH]1
InChIInChI=1S/C16H22N4/c1-3-13-9-18-16(19-13)15-8-12-6-4-5-7-14(12)20(15)10-11(2)17/h4-7,9,11,15H,3,8,10,17H2,1-2H3,(H,18,19)
InChIKeyGBHNVJPOIOYFNT-UHFFFAOYSA-N
XLogP2.42
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine?
The IUPAC name of 1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine (CID 58720157) is 1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine?
The canonical SMILES for 1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine is CCc1cnc(C2Cc3ccccc3N2CC(C)N)[nH]1.
What is the InChIKey of 1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine?
The InChIKey is GBHNVJPOIOYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-13-9-18-16(19-13)15-8-12-6-4-5-7-14(12)20(15)10-11(2)17/h4-7,9,11,15H,3,8,10,17H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine?
1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]propan-2-amine is sourced from PubChem (CID 58720157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).