4-(2-benzylbenzimidazol-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine

C26H23N3O2S — CID 71476451

IUPAC4-(2-benzylbenzimidazol-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1ccc(S(=O)(=O)n2c(Cc3ccccc3)nc3ccccc32)c2ccccc12
InChIInChI=1S/C26H23N3O2S/c1-28(2)23-16-17-25(21-13-7-6-12-20(21)23)32(30,31)29-24-15-9-8-14-22(24)27-26(29)18-19-10-4-3-5-11-19/h3-17H,18H2,1-2H3
InChIKeyYGOJMPVZQKCWTJ-UHFFFAOYSA-N
MW441.56 g/mol
LogP5.08
Rot. Bonds5

About 4-(2-benzylbenzimidazol-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine

4-(2-benzylbenzimidazol-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine (PubChem CID 71476451) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is 4-(2-benzylbenzimidazol-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name4-(2-benzylbenzimidazol-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine
PubChem CID71476451
Molecular FormulaC26H23N3O2S
Molecular Weight441.56 g/mol
Exact Mass441.15
IUPAC Name4-(2-benzylbenzimidazol-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1ccc(S(=O)(=O)n2c(Cc3ccccc3)nc3ccccc32)c2ccccc12
InChIInChI=1S/C26H23N3O2S/c1-28(2)23-16-17-25(21-13-7-6-12-20(21)23)32(30,31)29-24-15-9-8-14-22(24)27-26(29)18-19-10-4-3-5-11-19/h3-17H,18H2,1-2H3
InChIKeyYGOJMPVZQKCWTJ-UHFFFAOYSA-N
XLogP5.08
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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5-[[4,7-bis[[5-(dimethylamino)naphthalen-1-yl]sulfonyl]-1,4,7-triazonan-1-yl]sulfonyl]-N,N-dimethylnaphthalen-1-amine
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3-(2-benzylbenzimidazol-1-yl)butan-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzylbenzimidazol-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine?
The IUPAC name of 4-(2-benzylbenzimidazol-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine (CID 71476451) is 4-(2-benzylbenzimidazol-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 4-(2-benzylbenzimidazol-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 4-(2-benzylbenzimidazol-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine is CN(C)c1ccc(S(=O)(=O)n2c(Cc3ccccc3)nc3ccccc32)c2ccccc12.
What is the InChIKey of 4-(2-benzylbenzimidazol-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine?
The InChIKey is YGOJMPVZQKCWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2S/c1-28(2)23-16-17-25(21-13-7-6-12-20(21)23)32(30,31)29-24-15-9-8-14-22(24)27-26(29)18-19-10-4-3-5-11-19/h3-17H,18H2,1-2H3.
What are the key properties of 4-(2-benzylbenzimidazol-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine?
4-(2-benzylbenzimidazol-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine has a molecular weight of 441.56 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzylbenzimidazol-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 71476451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).