N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine

C15H23N3S — CID 107557823

IUPACN-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ncn(Cc2ccc(CNCC(C)C)s2)c1C
InChIInChI=1S/C15H23N3S/c1-11(2)7-16-8-14-5-6-15(19-14)9-18-10-17-12(3)13(18)4/h5-6,10-11,16H,7-9H2,1-4H3
InChIKeyXUNFROOYFJXKDE-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.36
Rot. Bonds6

About N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107557823) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107557823
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ncn(Cc2ccc(CNCC(C)C)s2)c1C
InChIInChI=1S/C15H23N3S/c1-11(2)7-16-8-14-5-6-15(19-14)9-18-10-17-12(3)13(18)4/h5-6,10-11,16H,7-9H2,1-4H3
InChIKeyXUNFROOYFJXKDE-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 71929153
3-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 16676839
3-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 46962093
N-[[8-(thiophen-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
CID 97519517
1,1-Dimethyl-3-[[8-(thiophen-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]urea
CID 97519537
1-[2-(4,5-Dimethyl-2-thiophen-2-ylimidazol-1-yl)ethyl]piperazine
CID 156018016
[3-(Imidazol-1-yl)propyl](thiophen-2-ylmethyl)amine
CID 17155303
1-Methyl-5-(2-thienyl)-1H-imidazole
CID 54753577
(1H-imidazol-4-ylmethyl)isobutyl[(3-methyl-2-thienyl)methyl]amine
CID 46985577
(2R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine
CID 96376392
(1S*,5R*)-6-[(5-isobutyl-2-thienyl)methyl]-3-[(4-methyl-1H-imidazol-5-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133134932
(1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine
CID 164632774

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine (CID 107557823) is N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine is Cc1ncn(Cc2ccc(CNCC(C)C)s2)c1C.
What is the InChIKey of N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XUNFROOYFJXKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-11(2)7-16-8-14-5-6-15(19-14)9-18-10-17-12(3)13(18)4/h5-6,10-11,16H,7-9H2,1-4H3.
What are the key properties of N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107557823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).