N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine

C12H16BrN3OS — CID 106575529

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NCc1ccc(Br)s1
InChIInChI=1S/C12H16BrN3OS/c1-9(8-17-2)16-6-5-14-12(16)15-7-10-3-4-11(13)18-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyFHZYNWVERKCFJY-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.53
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine

N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine (PubChem CID 106575529) has the molecular formula C12H16BrN3OS and a molecular weight of 330.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
PubChem CID106575529
Molecular FormulaC12H16BrN3OS
Molecular Weight330.25 g/mol
Exact Mass329.02
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NCc1ccc(Br)s1
InChIInChI=1S/C12H16BrN3OS/c1-9(8-17-2)16-6-5-14-12(16)15-7-10-3-4-11(13)18-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyFHZYNWVERKCFJY-UHFFFAOYSA-N
XLogP3.53
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106563648
N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106557059
1-(1-methoxypropan-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]imidazol-2-amine
CID 106571991
N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine
CID 106569695
N-[(3-methoxyphenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106563491
N-(cyclopropylmethyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106555195
N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556239
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
N-(2-ethoxypropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106581219
1-(1-methoxypropan-2-yl)-N-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554399
1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine
CID 106570244
N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106574060

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine (CID 106575529) is N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine is COCC(C)n1ccnc1NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The InChIKey is FHZYNWVERKCFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3OS/c1-9(8-17-2)16-6-5-14-12(16)15-7-10-3-4-11(13)18-10/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine?
N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine has a molecular weight of 330.25 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106575529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).