N-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide

C18H21N3O2S — CID 110760148

IUPACN-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)N(Cc3ccccc3)C(C)C)cc2[nH]1
InChIInChI=1S/C18H21N3O2S/c1-13(2)21(12-15-7-5-4-6-8-15)24(22,23)16-9-10-17-18(11-16)20-14(3)19-17/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyKLSIOQIKTHUZJZ-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.47
Rot. Bonds5

About N-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide

N-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide (PubChem CID 110760148) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide
PubChem CID110760148
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)N(Cc3ccccc3)C(C)C)cc2[nH]1
InChIInChI=1S/C18H21N3O2S/c1-13(2)21(12-15-7-5-4-6-8-15)24(22,23)16-9-10-17-18(11-16)20-14(3)19-17/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyKLSIOQIKTHUZJZ-UHFFFAOYSA-N
XLogP3.47
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 2951716
2-benzyl-6-methylsulfonyl-1H-benzimidazole
CID 62067786
N-benzyl-3-[(benzylamino)methyl]-N-propan-2-ylbenzenesulfonamide
CID 59826220
2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide
CID 110760149
2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol
CID 116852802
2-methyl-6-(1-phenylmethoxyethyl)-1H-benzimidazole
CID 59857344
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide
CID 15995775
N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760103
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide
CID 110760126
4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 7153842

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide (CID 110760148) is N-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide is Cc1nc2ccc(S(=O)(=O)N(Cc3ccccc3)C(C)C)cc2[nH]1.
What is the InChIKey of N-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide?
The InChIKey is KLSIOQIKTHUZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13(2)21(12-15-7-5-4-6-8-15)24(22,23)16-9-10-17-18(11-16)20-14(3)19-17/h4-11,13H,12H2,1-3H3,(H,19,20).
What are the key properties of N-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide?
N-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 110760148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).