1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine

C11H14BrN3S — CID 63095648

IUPAC1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nccn1Cc1sccc1Br
InChIInChI=1S/C11H14BrN3S/c1-8(13)6-11-14-3-4-15(11)7-10-9(12)2-5-16-10/h2-5,8H,6-7,13H2,1H3
InChIKeyLQBVPWBGTQHQMN-UHFFFAOYSA-N
MW300.23 g/mol
LogP2.65
Rot. Bonds4

About 1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine

1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine (PubChem CID 63095648) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine
PubChem CID63095648
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC Name1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nccn1Cc1sccc1Br
InChIInChI=1S/C11H14BrN3S/c1-8(13)6-11-14-3-4-15(11)7-10-9(12)2-5-16-10/h2-5,8H,6-7,13H2,1H3
InChIKeyLQBVPWBGTQHQMN-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]butan-2-amine
CID 55181842
[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol
CID 62222283
1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106577763
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine
CID 63095826
1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine
CID 63095821
1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine
CID 106577759
2-[[2-(2-aminopropyl)imidazol-1-yl]methyl]benzonitrile
CID 63096527
1-(1-octylimidazol-2-yl)propan-2-amine
CID 63096350
1-[1-[(2-chloro-6-nitrophenyl)methyl]imidazol-2-yl]propan-2-amine
CID 63745843
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine
CID 64779300
1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine
CID 103086610

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine (CID 63095648) is 1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine is CC(N)Cc1nccn1Cc1sccc1Br.
What is the InChIKey of 1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine?
The InChIKey is LQBVPWBGTQHQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-8(13)6-11-14-3-4-15(11)7-10-9(12)2-5-16-10/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine?
1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine has a molecular weight of 300.23 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 63095648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).