6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine

C19H21N3O2S — CID 6435398

IUPAC6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESC/C=C(\c1ccccc1)c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1
InChIInChI=1S/C19H21N3O2S/c1-4-16(14-8-6-5-7-9-14)15-10-11-17-18(12-15)22(19(20)21-17)25(23,24)13(2)3/h4-13H,1-3H3,(H2,20,21)/b16-4+
InChIKeyBFPYUXIFGJJYHU-AYSLTRBKSA-N
MW355.46 g/mol
LogP3.66
Rot. Bonds4

About 6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine

6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (PubChem CID 6435398) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
PubChem CID6435398
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESC/C=C(\c1ccccc1)c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1
InChIInChI=1S/C19H21N3O2S/c1-4-16(14-8-6-5-7-9-14)15-10-11-17-18(12-15)22(19(20)21-17)25(23,24)13(2)3/h4-13H,1-3H3,(H2,20,21)/b16-4+
InChIKeyBFPYUXIFGJJYHU-AYSLTRBKSA-N
XLogP3.66
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The IUPAC name of 6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (CID 6435398) is 6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.
What is the SMILES notation for 6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The canonical SMILES for 6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is C/C=C(\c1ccccc1)c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1.
What is the InChIKey of 6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The InChIKey is BFPYUXIFGJJYHU-AYSLTRBKSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-4-16(14-8-6-5-7-9-14)15-10-11-17-18(12-15)22(19(20)21-17)25(23,24)13(2)3/h4-13H,1-3H3,(H2,20,21)/b16-4+.
What are the key properties of 6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine has a molecular weight of 355.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is sourced from PubChem (CID 6435398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).