6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine

C15H15N3O3S — CID 82562597

IUPAC6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine
SMILESCOc1ccc2nc(Nc3cccc(S(C)(=O)=O)c3)[nH]c2c1
InChIInChI=1S/C15H15N3O3S/c1-21-11-6-7-13-14(9-11)18-15(17-13)16-10-4-3-5-12(8-10)22(2,19)20/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyXQYWFOOZNIMWSO-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.72
Rot. Bonds4

About 6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine

6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine (PubChem CID 82562597) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine
PubChem CID82562597
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine
SMILESCOc1ccc2nc(Nc3cccc(S(C)(=O)=O)c3)[nH]c2c1
InChIInChI=1S/C15H15N3O3S/c1-21-11-6-7-13-14(9-11)18-15(17-13)16-10-4-3-5-12(8-10)22(2,19)20/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyXQYWFOOZNIMWSO-UHFFFAOYSA-N
XLogP2.72
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562561
2-(3-methylsulfonylanilino)-3H-benzimidazole-5-carboxylic acid
CID 82563075
N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine
CID 82562590
6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 14666426
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
6-methoxy-N-(2-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562560
3-[(6-ethoxy-1H-benzimidazol-2-yl)amino]benzoic acid
CID 50878352
6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine
CID 23575380
6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 82562585
N-[(3-methoxyphenyl)methyl]-3-methylsulfonylaniline
CID 60699405
2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
CID 82562608

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine (CID 82562597) is 6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine is COc1ccc2nc(Nc3cccc(S(C)(=O)=O)c3)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine?
The InChIKey is XQYWFOOZNIMWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-21-11-6-7-13-14(9-11)18-15(17-13)16-10-4-3-5-12(8-10)22(2,19)20/h3-9H,1-2H3,(H2,16,17,18).
What are the key properties of 6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine?
6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine has a molecular weight of 317.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 82562597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).