2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine

C12H17N3S — CID 43651547

IUPAC2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine
SMILESCCC(C)C(N)c1ncc(-c2cccs2)[nH]1
InChIInChI=1S/C12H17N3S/c1-3-8(2)11(13)12-14-7-9(15-12)10-5-4-6-16-10/h4-8,11H,3,13H2,1-2H3,(H,14,15)
InChIKeyMYRYWZUFZSZTCA-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.18
Rot. Bonds4

About 2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine

2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine (PubChem CID 43651547) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine
PubChem CID43651547
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine
SMILESCCC(C)C(N)c1ncc(-c2cccs2)[nH]1
InChIInChI=1S/C12H17N3S/c1-3-8(2)11(13)12-14-7-9(15-12)10-5-4-6-16-10/h4-8,11H,3,13H2,1-2H3,(H,14,15)
InChIKeyMYRYWZUFZSZTCA-UHFFFAOYSA-N
XLogP3.18
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 43649951
2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol
CID 116882842
methyl 3-methyl-2-(5-thiophen-2-yl-1H-imidazol-2-yl)butanoate
CID 116883086
1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine
CID 43651492
2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine
CID 79811188
2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid
CID 116883394
1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine
CID 43649887
1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine
CID 63990889
1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651379
N'-[3-[2-(1-aminoethyl)-1H-imidazol-5-yl]phenyl]thiophene-2-carboximidamide
CID 18443029
(1S)-1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine
CID 94573698
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine?
The IUPAC name of 2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine (CID 43651547) is 2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine is CCC(C)C(N)c1ncc(-c2cccs2)[nH]1.
What is the InChIKey of 2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine?
The InChIKey is MYRYWZUFZSZTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-8(2)11(13)12-14-7-9(15-12)10-5-4-6-16-10/h4-8,11H,3,13H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine?
2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine has a molecular weight of 235.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine is sourced from PubChem (CID 43651547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).