N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide

C25H21N3O2S — CID 43890046

IUPACN-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide
SMILESCc1ccc2nc(C(NS(=O)(=O)c3ccc4ccccc4c3)c3ccccc3)[nH]c2c1
InChIInChI=1S/C25H21N3O2S/c1-17-11-14-22-23(15-17)27-25(26-22)24(19-8-3-2-4-9-19)28-31(29,30)21-13-12-18-7-5-6-10-20(18)16-21/h2-16,24,28H,1H3,(H,26,27)
InChIKeyPFJGXECMHCLHOF-UHFFFAOYSA-N
MW427.53 g/mol
LogP5.09
Rot. Bonds5

About N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide

N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide (PubChem CID 43890046) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide
PubChem CID43890046
Molecular FormulaC25H21N3O2S
Molecular Weight427.53 g/mol
Exact Mass427.14
IUPAC NameN-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide
SMILESCc1ccc2nc(C(NS(=O)(=O)c3ccc4ccccc4c3)c3ccccc3)[nH]c2c1
InChIInChI=1S/C25H21N3O2S/c1-17-11-14-22-23(15-17)27-25(26-22)24(19-8-3-2-4-9-19)28-31(29,30)21-13-12-18-7-5-6-10-20(18)16-21/h2-16,24,28H,1H3,(H,26,27)
InChIKeyPFJGXECMHCLHOF-UHFFFAOYSA-N
XLogP5.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine
CID 3009971
4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43889998
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890007
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide
CID 100697968
3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110779087
2-[chloro(phenyl)methyl]-6-methylsulfonyl-1H-benzimidazole
CID 62067934
N-benzhydryl-2,4-dimethylbenzenesulfonamide
CID 19681706
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
CID 5210543
N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium
CID 87738093
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide (CID 43890046) is N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide is Cc1ccc2nc(C(NS(=O)(=O)c3ccc4ccccc4c3)c3ccccc3)[nH]c2c1.
What is the InChIKey of N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide?
The InChIKey is PFJGXECMHCLHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S/c1-17-11-14-22-23(15-17)27-25(26-22)24(19-8-3-2-4-9-19)28-31(29,30)21-13-12-18-7-5-6-10-20(18)16-21/h2-16,24,28H,1H3,(H,26,27).
What are the key properties of N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide?
N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide has a molecular weight of 427.53 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 43890046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).