1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide

C13H13N5O2S — CID 90027143

IUPAC1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide
SMILESCN(c1ncccn1)S(=O)(=O)Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H13N5O2S/c1-18(13-14-5-2-6-15-13)21(19,20)8-10-3-4-11-12(7-10)17-9-16-11/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyLVNKIPQURJHQKC-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.32
Rot. Bonds4

About 1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide

1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide (PubChem CID 90027143) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide
PubChem CID90027143
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide
SMILESCN(c1ncccn1)S(=O)(=O)Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H13N5O2S/c1-18(13-14-5-2-6-15-13)21(19,20)8-10-3-4-11-12(7-10)17-9-16-11/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyLVNKIPQURJHQKC-UHFFFAOYSA-N
XLogP1.32
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoic acid
CID 115218303
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
6-(2,2-dimethylpropyl)-1H-benzimidazole
CID 58236536
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide
CID 131933234
2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115124633
4-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-1-ol
CID 115217708
2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride
CID 3046610
2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110772495
methyl 3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoate
CID 115232458
2-[2-(3H-benzimidazol-5-yl)ethyl-methylamino]ethanethiol
CID 115224401
6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide (CID 90027143) is 1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide is CN(c1ncccn1)S(=O)(=O)Cc1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide?
The InChIKey is LVNKIPQURJHQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-18(13-14-5-2-6-15-13)21(19,20)8-10-3-4-11-12(7-10)17-9-16-11/h2-7,9H,8H2,1H3,(H,16,17).
What are the key properties of 1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide?
1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide has a molecular weight of 303.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-N-methyl-N-pyrimidin-2-ylmethanesulfonamide is sourced from PubChem (CID 90027143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).