1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine

C11H14BrN3S — CID 62350136

IUPAC1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine
SMILESCCn1ccnc1CNCc1ccc(Br)s1
InChIInChI=1S/C11H14BrN3S/c1-2-15-6-5-14-11(15)8-13-7-9-3-4-10(12)16-9/h3-6,13H,2,7-8H2,1H3
InChIKeyZVTMUFVWVNJTRN-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.02
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine

1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine (PubChem CID 62350136) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine
PubChem CID62350136
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC Name1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine
SMILESCCn1ccnc1CNCc1ccc(Br)s1
InChIInChI=1S/C11H14BrN3S/c1-2-15-6-5-14-11(15)8-13-7-9-3-4-10(12)16-9/h3-6,13H,2,7-8H2,1H3
InChIKeyZVTMUFVWVNJTRN-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684
N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 115761620
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731897
N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine
CID 106393163
N-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine
CID 62357906
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834150
1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine
CID 91928165
N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 115405976
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
CID 62357739

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine (CID 62350136) is 1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine is CCn1ccnc1CNCc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine?
The InChIKey is ZVTMUFVWVNJTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-2-15-6-5-14-11(15)8-13-7-9-3-4-10(12)16-9/h3-6,13H,2,7-8H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine?
1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine has a molecular weight of 300.23 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 62350136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).