N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide

C28H24N4O2S — CID 23302225

IUPACN-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide
SMILESCn1c(Cc2ccc(C#N)cc2)nc2cc(N(Cc3cccc4ccccc34)S(C)(=O)=O)ccc21
InChIInChI=1S/C28H24N4O2S/c1-31-27-15-14-24(17-26(27)30-28(31)16-20-10-12-21(18-29)13-11-20)32(35(2,33)34)19-23-8-5-7-22-6-3-4-9-25(22)23/h3-15,17H,16,19H2,1-2H3
InChIKeyCWXMRYPRKSNZAW-UHFFFAOYSA-N
MW480.59 g/mol
LogP5.16
Rot. Bonds6

About N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide

N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide (PubChem CID 23302225) has the molecular formula C28H24N4O2S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide
PubChem CID23302225
Molecular FormulaC28H24N4O2S
Molecular Weight480.59 g/mol
Exact Mass480.16
IUPAC NameN-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide
SMILESCn1c(Cc2ccc(C#N)cc2)nc2cc(N(Cc3cccc4ccccc34)S(C)(=O)=O)ccc21
InChIInChI=1S/C28H24N4O2S/c1-31-27-15-14-24(17-26(27)30-28(31)16-20-10-12-21(18-29)13-11-20)32(35(2,33)34)19-23-8-5-7-22-6-3-4-9-25(22)23/h3-15,17H,16,19H2,1-2H3
InChIKeyCWXMRYPRKSNZAW-UHFFFAOYSA-N
XLogP5.16
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide
CID 23302680
N-[2-[2-(4-cyanophenyl)ethyl]-1-methylbenzimidazol-5-yl]-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 22621836
2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile
CID 65035576
ethyl 4-(N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]sulfonylanilino)butanoate
CID 23302243
2-[benzenesulfonyl-[2-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]amino]acetamide
CID 23302778
ethyl 3-[5-[benzenesulfonyl-[3-(dimethylamino)propyl]amino]-2-[(4-cyanophenyl)methyl]benzimidazol-1-yl]propanoate
CID 54504423
N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide
CID 23302315
N-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide
CID 60522673
N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide
CID 163316015
N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 60522601
N-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide
CID 55595289
1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile
CID 84621917

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide?
The IUPAC name of N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide (CID 23302225) is N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide is Cn1c(Cc2ccc(C#N)cc2)nc2cc(N(Cc3cccc4ccccc34)S(C)(=O)=O)ccc21.
What is the InChIKey of N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide?
The InChIKey is CWXMRYPRKSNZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2S/c1-31-27-15-14-24(17-26(27)30-28(31)16-20-10-12-21(18-29)13-11-20)32(35(2,33)34)19-23-8-5-7-22-6-3-4-9-25(22)23/h3-15,17H,16,19H2,1-2H3.
What are the key properties of N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide?
N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide has a molecular weight of 480.59 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide is sourced from PubChem (CID 23302225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).