1-butyl-N-(2,3-dihydro-1H-inden-1-yl)imidazol-2-amine

C16H21N3 — CID 106562786

IUPAC1-butyl-N-(2,3-dihydro-1H-inden-1-yl)imidazol-2-amine
SMILESCCCCn1ccnc1NC1CCc2ccccc21
InChIInChI=1S/C16H21N3/c1-2-3-11-19-12-10-17-16(19)18-15-9-8-13-6-4-5-7-14(13)15/h4-7,10,12,15H,2-3,8-9,11H2,1H3,(H,17,18)
InChIKeyGFMBHQNKKFWFOY-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.78
Rot. Bonds5

About 1-butyl-N-(2,3-dihydro-1H-inden-1-yl)imidazol-2-amine

1-butyl-N-(2,3-dihydro-1H-inden-1-yl)imidazol-2-amine (PubChem CID 106562786) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-butyl-N-(2,3-dihydro-1H-inden-1-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(2,3-dihydro-1H-inden-1-yl)imidazol-2-amine
PubChem CID106562786
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-butyl-N-(2,3-dihydro-1H-inden-1-yl)imidazol-2-amine
SMILESCCCCn1ccnc1NC1CCc2ccccc21
InChIInChI=1S/C16H21N3/c1-2-3-11-19-12-10-17-16(19)18-15-9-8-13-6-4-5-7-14(13)15/h4-7,10,12,15H,2-3,8-9,11H2,1H3,(H,17,18)
InChIKeyGFMBHQNKKFWFOY-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,3-dihydro-1H-inden-1-yl)imidazol-2-amine?
The IUPAC name of 1-butyl-N-(2,3-dihydro-1H-inden-1-yl)imidazol-2-amine (CID 106562786) is 1-butyl-N-(2,3-dihydro-1H-inden-1-yl)imidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(2,3-dihydro-1H-inden-1-yl)imidazol-2-amine?
The canonical SMILES for 1-butyl-N-(2,3-dihydro-1H-inden-1-yl)imidazol-2-amine is CCCCn1ccnc1NC1CCc2ccccc21.
What is the InChIKey of 1-butyl-N-(2,3-dihydro-1H-inden-1-yl)imidazol-2-amine?
The InChIKey is GFMBHQNKKFWFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-3-11-19-12-10-17-16(19)18-15-9-8-13-6-4-5-7-14(13)15/h4-7,10,12,15H,2-3,8-9,11H2,1H3,(H,17,18).
What are the key properties of 1-butyl-N-(2,3-dihydro-1H-inden-1-yl)imidazol-2-amine?
1-butyl-N-(2,3-dihydro-1H-inden-1-yl)imidazol-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,3-dihydro-1H-inden-1-yl)imidazol-2-amine is sourced from PubChem (CID 106562786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).