[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone

C16H12ClN5OS — CID 170694561

IUPAC[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN=C1Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C16H12ClN5OS/c17-11-6-7-12-14(21-24-20-12)13(11)19-16-18-8-9-22(16)15(23)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)
InChIKeyCICIROTVXFGAKH-UHFFFAOYSA-N
MW357.83 g/mol
LogP3.27
Rot. Bonds2

About [2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone

[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone (PubChem CID 170694561) has the molecular formula C16H12ClN5OS and a molecular weight of 357.83 g/mol. Its IUPAC name is [2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone
PubChem CID170694561
Molecular FormulaC16H12ClN5OS
Molecular Weight357.83 g/mol
Exact Mass357.05
IUPAC Name[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN=C1Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C16H12ClN5OS/c17-11-6-7-12-14(21-24-20-12)13(11)19-16-18-8-9-22(16)15(23)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)
InChIKeyCICIROTVXFGAKH-UHFFFAOYSA-N
XLogP3.27
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone?
The IUPAC name of [2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone (CID 170694561) is [2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone?
The canonical SMILES for [2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN=C1Nc1c(Cl)ccc2nsnc12.
What is the InChIKey of [2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone?
The InChIKey is CICIROTVXFGAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5OS/c17-11-6-7-12-14(21-24-20-12)13(11)19-16-18-8-9-22(16)15(23)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19).
What are the key properties of [2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone?
[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone has a molecular weight of 357.83 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone is sourced from PubChem (CID 170694561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).