6-(5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine

C19H19N5O2S — CID 11326501

IUPAC6-(5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc[nH]c3-c3ccccc3)cc21
InChIInChI=1S/C19H19N5O2S/c1-12(2)27(25,26)24-16-10-14(8-9-15(16)23-19(24)20)18-17(21-11-22-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,20,23)(H,21,22)
InChIKeyWMNVYPIDBPUURP-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.26
Rot. Bonds4

About 6-(5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine

6-(5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine (PubChem CID 11326501) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 6-(5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-(5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine
PubChem CID11326501
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name6-(5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc[nH]c3-c3ccccc3)cc21
InChIInChI=1S/C19H19N5O2S/c1-12(2)27(25,26)24-16-10-14(8-9-15(16)23-19(24)20)18-17(21-11-22-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,20,23)(H,21,22)
InChIKeyWMNVYPIDBPUURP-UHFFFAOYSA-N
XLogP3.26
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The IUPAC name of 6-(5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine (CID 11326501) is 6-(5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine.
What is the SMILES notation for 6-(5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The canonical SMILES for 6-(5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine is CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc[nH]c3-c3ccccc3)cc21.
What is the InChIKey of 6-(5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The InChIKey is WMNVYPIDBPUURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-12(2)27(25,26)24-16-10-14(8-9-15(16)23-19(24)20)18-17(21-11-22-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 6-(5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine?
6-(5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine has a molecular weight of 381.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine is sourced from PubChem (CID 11326501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).