N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide

C17H20N4O2S — CID 110760413

IUPACN,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)N(C)CCc3ccncc3)ccc2n1C
InChIInChI=1S/C17H20N4O2S/c1-13-19-16-12-15(4-5-17(16)21(13)3)24(22,23)20(2)11-8-14-6-9-18-10-7-14/h4-7,9-10,12H,8,11H2,1-3H3
InChIKeyWRXBDUGEMPNPDO-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.14
Rot. Bonds5

About N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide

N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide (PubChem CID 110760413) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide
PubChem CID110760413
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)N(C)CCc3ccncc3)ccc2n1C
InChIInChI=1S/C17H20N4O2S/c1-13-19-16-12-15(4-5-17(16)21(13)3)24(22,23)20(2)11-8-14-6-9-18-10-7-14/h4-7,9-10,12H,8,11H2,1-3H3
InChIKeyWRXBDUGEMPNPDO-UHFFFAOYSA-N
XLogP2.14
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
CID 110765803
3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757618
N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide
CID 110760432
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide
CID 110759653
3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757356
N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 47084792
1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
CID 3159773
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757747
N-butyl-N,1-dimethylbenzimidazole-5-sulfonamide
CID 110760294
N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
CID 110755632
4-acetyl-N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 110648531
5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole
CID 12993845

Frequently Asked Questions

What is the IUPAC name of N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide?
The IUPAC name of N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide (CID 110760413) is N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide.
What is the SMILES notation for N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide?
The canonical SMILES for N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide is Cc1nc2cc(S(=O)(=O)N(C)CCc3ccncc3)ccc2n1C.
What is the InChIKey of N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide?
The InChIKey is WRXBDUGEMPNPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-13-19-16-12-15(4-5-17(16)21(13)3)24(22,23)20(2)11-8-14-6-9-18-10-7-14/h4-7,9-10,12H,8,11H2,1-3H3.
What are the key properties of N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide?
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide is sourced from PubChem (CID 110760413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).