N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]methanesulfonamide

C25H33N5O3S — CID 20814108

IUPACN-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]methanesulfonamide
SMILESCC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(CNS(C)(=O)=O)ccc21
InChIInChI=1S/C25H33N5O3S/c1-17(2)12-13-28-21-11-10-19(15-26-34(5,32)33)14-20(21)27-24(28)16-29-22-8-6-7-9-23(22)30(18(3)4)25(29)31/h6-11,14,17-18,26H,12-13,15-16H2,1-5H3
InChIKeyCDHIFSLUZOQCPW-UHFFFAOYSA-N
MW483.64 g/mol
LogP3.88
Rot. Bonds9

About N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]methanesulfonamide

N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]methanesulfonamide (PubChem CID 20814108) has the molecular formula C25H33N5O3S and a molecular weight of 483.64 g/mol. Its IUPAC name is N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]methanesulfonamide
PubChem CID20814108
Molecular FormulaC25H33N5O3S
Molecular Weight483.64 g/mol
Exact Mass483.23
IUPAC NameN-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]methanesulfonamide
SMILESCC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(CNS(C)(=O)=O)ccc21
InChIInChI=1S/C25H33N5O3S/c1-17(2)12-13-28-21-11-10-19(15-26-34(5,32)33)14-20(21)27-24(28)16-29-22-8-6-7-9-23(22)30(18(3)4)25(29)31/h6-11,14,17-18,26H,12-13,15-16H2,1-5H3
InChIKeyCDHIFSLUZOQCPW-UHFFFAOYSA-N
XLogP3.88
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]methanesulfonamide (CID 20814108) is N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]methanesulfonamide is CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(CNS(C)(=O)=O)ccc21.
What is the InChIKey of N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]methanesulfonamide?
The InChIKey is CDHIFSLUZOQCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3S/c1-17(2)12-13-28-21-11-10-19(15-26-34(5,32)33)14-20(21)27-24(28)16-29-22-8-6-7-9-23(22)30(18(3)4)25(29)31/h6-11,14,17-18,26H,12-13,15-16H2,1-5H3.
What are the key properties of N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]methanesulfonamide?
N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]methanesulfonamide has a molecular weight of 483.64 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 20814108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).