N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide

C17H23N3O2S — CID 113081792

IUPACN-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1nc2c(n1-c1ccccc1)CCCC2
InChIInChI=1S/C17H23N3O2S/c1-2-12-23(21,22)18-13-17-19-15-10-6-7-11-16(15)20(17)14-8-4-3-5-9-14/h3-5,8-9,18H,2,6-7,10-13H2,1H3
InChIKeyGYYQTCPXZRYCCC-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.58
Rot. Bonds6

About N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide

N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide (PubChem CID 113081792) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide
PubChem CID113081792
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1nc2c(n1-c1ccccc1)CCCC2
InChIInChI=1S/C17H23N3O2S/c1-2-12-23(21,22)18-13-17-19-15-10-6-7-11-16(15)20(17)14-8-4-3-5-9-14/h3-5,8-9,18H,2,6-7,10-13H2,1H3
InChIKeyGYYQTCPXZRYCCC-UHFFFAOYSA-N
XLogP2.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide (CID 113081792) is N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1nc2c(n1-c1ccccc1)CCCC2.
What is the InChIKey of N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is GYYQTCPXZRYCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-2-12-23(21,22)18-13-17-19-15-10-6-7-11-16(15)20(17)14-8-4-3-5-9-14/h3-5,8-9,18H,2,6-7,10-13H2,1H3.
What are the key properties of N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide?
N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 333.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 113081792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).