3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine

C12H17N3S — CID 115595871

IUPAC3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCC(CNCc1ccsc1)Cn1ccnc1
InChIInChI=1S/C12H17N3S/c1-11(8-15-4-3-13-10-15)6-14-7-12-2-5-16-9-12/h2-5,9-11,14H,6-8H2,1H3
InChIKeyMIKJBNALESIFER-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.37
Rot. Bonds6

About 3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine

3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine (PubChem CID 115595871) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
PubChem CID115595871
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCC(CNCc1ccsc1)Cn1ccnc1
InChIInChI=1S/C12H17N3S/c1-11(8-15-4-3-13-10-15)6-14-7-12-2-5-16-9-12/h2-5,9-11,14H,6-8H2,1H3
InChIKeyMIKJBNALESIFER-UHFFFAOYSA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride
CID 115595862
3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 60595533
N-[[4-(difluoromethoxy)phenyl]methyl]-3-imidazol-1-yl-2-methylpropan-1-amine
CID 60595639
3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 119125266
3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 60595674
N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
CID 115595868
3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 60595894
3-imidazol-1-yl-N-[(4-methoxy-3-nitrophenyl)methyl]-2-methylpropan-1-amine
CID 119124841
1-(2-chloro-4-thiophen-3-ylbutyl)imidazole
CID 23457744
3-imidazol-1-yl-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 60595640
3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 119110505
N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 95127355

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine (CID 115595871) is 3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine is CC(CNCc1ccsc1)Cn1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The InChIKey is MIKJBNALESIFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-11(8-15-4-3-13-10-15)6-14-7-12-2-5-16-9-12/h2-5,9-11,14H,6-8H2,1H3.
What are the key properties of 3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine?
3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine has a molecular weight of 235.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 115595871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).