1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine

C15H14N4S — CID 21055050

IUPAC1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine
SMILESCc1ccsc1/C=N/n1cc(-c2ccccc2)nc1N
InChIInChI=1S/C15H14N4S/c1-11-7-8-20-14(11)9-17-19-10-13(18-15(19)16)12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,18)/b17-9+
InChIKeySFEIJMNHPCOWLM-RQZCQDPDSA-N
MW282.37 g/mol
LogP3.38
Rot. Bonds3

About 1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine

1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine (PubChem CID 21055050) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine
PubChem CID21055050
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine
SMILESCc1ccsc1/C=N/n1cc(-c2ccccc2)nc1N
InChIInChI=1S/C15H14N4S/c1-11-7-8-20-14(11)9-17-19-10-13(18-15(19)16)12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,18)/b17-9+
InChIKeySFEIJMNHPCOWLM-RQZCQDPDSA-N
XLogP3.38
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N~1~-[(1E)-phenylmethylene]-1H-imidazole-1,2-diamine
CID 6858937
1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
4-Chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 164616101
4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole
CID 446185
4-{[4-(thiophen-3-yl)-1H-imidazol-1-yl]methyl}aniline
CID 6539902
1-[(3-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539907
2,3-Dimethyl-6-thiophen-2-ylimidazo[1,2-b][1,2,4]triazine
CID 615484
1H-Imidazole, 5-(6,7-dihydrobenzo[b]thien-4-yl)-
CID 9815610
4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837106
1-(4-Phenylthiazol-2-yl)-4-(thiophen-2-yl)-1h-imidazol-2-amine
CID 9927279
3-(4-Fluoro-benzyl)-6-th iophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 11771327
2-Pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 15653274

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine?
The IUPAC name of 1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine (CID 21055050) is 1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine.
What is the SMILES notation for 1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine?
The canonical SMILES for 1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine is Cc1ccsc1/C=N/n1cc(-c2ccccc2)nc1N.
What is the InChIKey of 1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine?
The InChIKey is SFEIJMNHPCOWLM-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14N4S/c1-11-7-8-20-14(11)9-17-19-10-13(18-15(19)16)12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,18)/b17-9+.
What are the key properties of 1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine?
1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine is sourced from PubChem (CID 21055050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).