1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine

C14H11ClN4S — CID 21055056

IUPAC1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine
SMILESNc1nc(-c2cccs2)cn1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN4S/c15-11-5-3-10(4-6-11)8-17-19-9-12(18-14(19)16)13-2-1-7-20-13/h1-9H,(H2,16,18)/b17-8+
InChIKeyQKGZSBSNFCVICS-CAOOACKPSA-N
MW302.79 g/mol
LogP3.73
Rot. Bonds3

About 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine

1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine (PubChem CID 21055056) has the molecular formula C14H11ClN4S and a molecular weight of 302.79 g/mol. Its IUPAC name is 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine
PubChem CID21055056
Molecular FormulaC14H11ClN4S
Molecular Weight302.79 g/mol
Exact Mass302.04
IUPAC Name1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine
SMILESNc1nc(-c2cccs2)cn1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN4S/c15-11-5-3-10(4-6-11)8-17-19-9-12(18-14(19)16)13-2-1-7-20-13/h1-9H,(H2,16,18)/b17-8+
InChIKeyQKGZSBSNFCVICS-CAOOACKPSA-N
XLogP3.73
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.73
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-Chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 164616101
1-(4-Chlorobenzylideneamino)-4-phenyl-1H-imidazol-2-amine
CID 21578791
1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine
CID 21055055
1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine
CID 21055057
2-(5-Chloro-thiophen-2-yl)-5-imidazol-1-ylmethyl-pyridine
CID 67511528
1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine
CID 21055050
1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine
CID 21055058
N-(5-chlorothiophen-2-ylmethyl)-N-(2,4-dichlorobenzyl)-1H-imidazol-1-amine
CID 44579025
1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine
CID 46228717
1-[(E)-(4-chlorophenyl)methylideneamino]-4-(5-chlorothiophen-2-yl)imidazol-2-amine
CID 21949754
4-Chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine
CID 164623984
N-benzyl-N-(5-chlorothiophen-2-yl-methyl)-1H-imidazol-1-amine
CID 44578921

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine?
The IUPAC name of 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine (CID 21055056) is 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine.
What is the SMILES notation for 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine?
The canonical SMILES for 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine is Nc1nc(-c2cccs2)cn1/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine?
The InChIKey is QKGZSBSNFCVICS-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11ClN4S/c15-11-5-3-10(4-6-11)8-17-19-9-12(18-14(19)16)13-2-1-7-20-13/h1-9H,(H2,16,18)/b17-8+.
What are the key properties of 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine?
1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine has a molecular weight of 302.79 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine is sourced from PubChem (CID 21055056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).