(3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine

C9H10BrN3S — CID 82895953

IUPAC(3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1C(N)c1sccc1Br
InChIInChI=1S/C9H10BrN3S/c1-13-5-12-4-7(13)8(11)9-6(10)2-3-14-9/h2-5,8H,11H2,1H3
InChIKeyRKCULKAQPOSHKR-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.29
Rot. Bonds2

About (3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine

(3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine (PubChem CID 82895953) has the molecular formula C9H10BrN3S and a molecular weight of 272.17 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine
PubChem CID82895953
Molecular FormulaC9H10BrN3S
Molecular Weight272.17 g/mol
Exact Mass270.98
IUPAC Name(3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1C(N)c1sccc1Br
InChIInChI=1S/C9H10BrN3S/c1-13-5-12-4-7(13)8(11)9-6(10)2-3-14-9/h2-5,8H,11H2,1H3
InChIKeyRKCULKAQPOSHKR-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116708
(3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine
CID 105173057
1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine
CID 82895493
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105042373
(3-bromothiophen-2-yl)-[2-(3-methoxypropyl)pyrazol-3-yl]methanamine
CID 114278098
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105040396
1-(3-chlorothiophen-2-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 107360135
(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 63796873
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
(3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041950
(R)-(3-bromothiophen-2-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211028

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine (CID 82895953) is (3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine is Cn1cncc1C(N)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine?
The InChIKey is RKCULKAQPOSHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3S/c1-13-5-12-4-7(13)8(11)9-6(10)2-3-14-9/h2-5,8H,11H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine?
(3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine has a molecular weight of 272.17 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 82895953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).