2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole

C14H20N4O2S — CID 110786179

IUPAC2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole
SMILESCN(C)S(=O)(=O)NCc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C14H20N4O2S/c1-17(2)21(19,20)15-9-10-4-7-13-12(8-10)16-14(18(13)3)11-5-6-11/h4,7-8,11,15H,5-6,9H2,1-3H3
InChIKeyLYHQIFJZHYNIRG-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.35
Rot. Bonds5

About 2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole

2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole (PubChem CID 110786179) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole
PubChem CID110786179
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole
SMILESCN(C)S(=O)(=O)NCc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C14H20N4O2S/c1-17(2)21(19,20)15-9-10-4-7-13-12(8-10)16-14(18(13)3)11-5-6-11/h4,7-8,11,15H,5-6,9H2,1-3H3
InChIKeyLYHQIFJZHYNIRG-UHFFFAOYSA-N
XLogP1.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole?
The IUPAC name of 2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole (CID 110786179) is 2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole?
The canonical SMILES for 2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole is CN(C)S(=O)(=O)NCc1ccc2c(c1)nc(C1CC1)n2C.
What is the InChIKey of 2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole?
The InChIKey is LYHQIFJZHYNIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-17(2)21(19,20)15-9-10-4-7-13-12(8-10)16-14(18(13)3)11-5-6-11/h4,7-8,11,15H,5-6,9H2,1-3H3.
What are the key properties of 2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole?
2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole has a molecular weight of 308.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole is sourced from PubChem (CID 110786179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).