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

C14H16ClN5 — CID 79595255

IUPAC1-(2-chlorophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
SMILESCc1c(C2CN=C(N)N2c2ccccc2Cl)cnn1C
InChIInChI=1S/C14H16ClN5/c1-9-10(7-18-19(9)2)13-8-17-14(16)20(13)12-6-4-3-5-11(12)15/h3-7,13H,8H2,1-2H3,(H2,16,17)
InChIKeyPAXPTWDWFYDRAU-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.26
Rot. Bonds2

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

1-(2-chlorophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 79595255) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
PubChem CID79595255
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name1-(2-chlorophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
SMILESCc1c(C2CN=C(N)N2c2ccccc2Cl)cnn1C
InChIInChI=1S/C14H16ClN5/c1-9-10(7-18-19(9)2)13-8-17-14(16)20(13)12-6-4-3-5-11(12)15/h3-7,13H,8H2,1-2H3,(H2,16,17)
InChIKeyPAXPTWDWFYDRAU-UHFFFAOYSA-N
XLogP2.26
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine (CID 79595255) is 1-(2-chlorophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine is Cc1c(C2CN=C(N)N2c2ccccc2Cl)cnn1C.
What is the InChIKey of 1-(2-chlorophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is PAXPTWDWFYDRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c1-9-10(7-18-19(9)2)13-8-17-14(16)20(13)12-6-4-3-5-11(12)15/h3-7,13H,8H2,1-2H3,(H2,16,17).
What are the key properties of 1-(2-chlorophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine?
1-(2-chlorophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 289.77 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79595255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).