N,1-di(propan-2-yl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]benzimidazole-5-sulfonamide

C20H23N5O3S — CID 70712925

IUPACN,1-di(propan-2-yl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]benzimidazole-5-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc2c(c1)nc(-c1ccc(-c3ccn[nH]3)o1)n2C(C)C
InChIInChI=1S/C20H23N5O3S/c1-12(2)24-29(26,27)14-5-6-17-16(11-14)22-20(25(17)13(3)4)19-8-7-18(28-19)15-9-10-21-23-15/h5-13,24H,1-4H3,(H,21,23)
InChIKeyQHFLLTGBDXDPFK-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.95
Rot. Bonds6

About N,1-di(propan-2-yl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]benzimidazole-5-sulfonamide

N,1-di(propan-2-yl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]benzimidazole-5-sulfonamide (PubChem CID 70712925) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N,1-di(propan-2-yl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN,1-di(propan-2-yl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]benzimidazole-5-sulfonamide
PubChem CID70712925
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN,1-di(propan-2-yl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]benzimidazole-5-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc2c(c1)nc(-c1ccc(-c3ccn[nH]3)o1)n2C(C)C
InChIInChI=1S/C20H23N5O3S/c1-12(2)24-29(26,27)14-5-6-17-16(11-14)22-20(25(17)13(3)4)19-8-7-18(28-19)15-9-10-21-23-15/h5-13,24H,1-4H3,(H,21,23)
InChIKeyQHFLLTGBDXDPFK-UHFFFAOYSA-N
XLogP3.95
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-di(propan-2-yl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]benzimidazole-5-sulfonamide?
The IUPAC name of N,1-di(propan-2-yl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]benzimidazole-5-sulfonamide (CID 70712925) is N,1-di(propan-2-yl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]benzimidazole-5-sulfonamide.
What is the SMILES notation for N,1-di(propan-2-yl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]benzimidazole-5-sulfonamide?
The canonical SMILES for N,1-di(propan-2-yl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]benzimidazole-5-sulfonamide is CC(C)NS(=O)(=O)c1ccc2c(c1)nc(-c1ccc(-c3ccn[nH]3)o1)n2C(C)C.
What is the InChIKey of N,1-di(propan-2-yl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]benzimidazole-5-sulfonamide?
The InChIKey is QHFLLTGBDXDPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-12(2)24-29(26,27)14-5-6-17-16(11-14)22-20(25(17)13(3)4)19-8-7-18(28-19)15-9-10-21-23-15/h5-13,24H,1-4H3,(H,21,23).
What are the key properties of N,1-di(propan-2-yl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]benzimidazole-5-sulfonamide?
N,1-di(propan-2-yl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]benzimidazole-5-sulfonamide has a molecular weight of 413.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-di(propan-2-yl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]benzimidazole-5-sulfonamide is sourced from PubChem (CID 70712925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).