4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine

C15H18BrN3 — CID 103910363

IUPAC4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(Cn1ccnc1)NC1CCc2c(Br)cccc21
InChIInChI=1S/C15H18BrN3/c1-11(9-19-8-7-17-10-19)18-15-6-5-12-13(15)3-2-4-14(12)16/h2-4,7-8,10-11,15,18H,5-6,9H2,1H3
InChIKeyPYDMCLHYAIQXQE-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.31
Rot. Bonds4

About 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine

4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 103910363) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID103910363
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(Cn1ccnc1)NC1CCc2c(Br)cccc21
InChIInChI=1S/C15H18BrN3/c1-11(9-19-8-7-17-10-19)18-15-6-5-12-13(15)3-2-4-14(12)16/h2-4,7-8,10-11,15,18H,5-6,9H2,1H3
InChIKeyPYDMCLHYAIQXQE-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 43749760
(1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 97109946
2-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690014
N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 61479477
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43791978
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
3-(1-imidazol-1-ylpropan-2-ylamino)azepan-2-one
CID 54958570
N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821543
4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113374920
(6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81297092
4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81300652
N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
CID 43435651

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine (CID 103910363) is 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine is CC(Cn1ccnc1)NC1CCc2c(Br)cccc21.
What is the InChIKey of 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PYDMCLHYAIQXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-11(9-19-8-7-17-10-19)18-15-6-5-12-13(15)3-2-4-14(12)16/h2-4,7-8,10-11,15,18H,5-6,9H2,1H3.
What are the key properties of 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 320.23 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103910363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).