(5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine

C8H8BrN3S — CID 116835147

IUPAC(5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine
SMILESNC(c1ncc[nH]1)c1ccc(Br)s1
InChIInChI=1S/C8H8BrN3S/c9-6-2-1-5(13-6)7(10)8-11-3-4-12-8/h1-4,7H,10H2,(H,11,12)
InChIKeyCRTGOKXOTZGVLC-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.28
Rot. Bonds2

About (5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine

(5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine (PubChem CID 116835147) has the molecular formula C8H8BrN3S and a molecular weight of 258.14 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine
PubChem CID116835147
Molecular FormulaC8H8BrN3S
Molecular Weight258.14 g/mol
Exact Mass256.96
IUPAC Name(5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine
SMILESNC(c1ncc[nH]1)c1ccc(Br)s1
InChIInChI=1S/C8H8BrN3S/c9-6-2-1-5(13-6)7(10)8-11-3-4-12-8/h1-4,7H,10H2,(H,11,12)
InChIKeyCRTGOKXOTZGVLC-UHFFFAOYSA-N
XLogP2.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-2-(1H-imidazol-2-yl)acetonitrile
CID 116834553
1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine
CID 107779753
(5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine
CID 61347211
1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)butan-2-amine
CID 114000660
(4-fluorophenyl)-(1H-imidazol-2-yl)methanamine
CID 67419097
(1R)-1-(1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 15343447
1-(1H-imidazol-2-yl)ethanamine;hydrochloride
CID 86811802
(5-bromothiophen-2-yl)-thiophen-3-ylmethanamine
CID 61102813
(5-bromothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine
CID 106684358
1-(5-bromothiophen-2-yl)butane-1,3-diamine
CID 116933230
(5-bromothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708183
(5-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 61102622

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine (CID 116835147) is (5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine is NC(c1ncc[nH]1)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine?
The InChIKey is CRTGOKXOTZGVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3S/c9-6-2-1-5(13-6)7(10)8-11-3-4-12-8/h1-4,7H,10H2,(H,11,12).
What are the key properties of (5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine?
(5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine has a molecular weight of 258.14 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine is sourced from PubChem (CID 116835147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).