1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine

C15H16ClN3S — CID 79505801

IUPAC1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine
SMILESCc1cc(C2CN=C(N)N2c2ccccc2Cl)c(C)s1
InChIInChI=1S/C15H16ClN3S/c1-9-7-11(10(2)20-9)14-8-18-15(17)19(14)13-6-4-3-5-12(13)16/h3-7,14H,8H2,1-2H3,(H2,17,18)
InChIKeyWCOUUPFXSDBFKA-UHFFFAOYSA-N
MW305.83 g/mol
LogP3.89
Rot. Bonds2

About 1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine

1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 79505801) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine
PubChem CID79505801
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine
SMILESCc1cc(C2CN=C(N)N2c2ccccc2Cl)c(C)s1
InChIInChI=1S/C15H16ClN3S/c1-9-7-11(10(2)20-9)14-8-18-15(17)19(14)13-6-4-3-5-12(13)16/h3-7,14H,8H2,1-2H3,(H2,17,18)
InChIKeyWCOUUPFXSDBFKA-UHFFFAOYSA-N
XLogP3.89
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine (CID 79505801) is 1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine is Cc1cc(C2CN=C(N)N2c2ccccc2Cl)c(C)s1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is WCOUUPFXSDBFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-9-7-11(10(2)20-9)14-8-18-15(17)19(14)13-6-4-3-5-12(13)16/h3-7,14H,8H2,1-2H3,(H2,17,18).
What are the key properties of 1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine?
1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 305.83 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).