1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide

C22H18N4O3S — CID 122283665

IUPAC1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide
SMILESCc1ccc(-c2cn3ccccc3n2)cc1NS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C22H18N4O3S/c1-15-9-10-16(19-13-26-11-5-4-8-22(26)23-19)12-18(15)25-30(27,28)14-20-17-6-2-3-7-21(17)29-24-20/h2-13,25H,14H2,1H3
InChIKeyVSKNCFRRSHHSQS-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.39
Rot. Bonds5

About 1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide (PubChem CID 122283665) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide
PubChem CID122283665
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide
SMILESCc1ccc(-c2cn3ccccc3n2)cc1NS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C22H18N4O3S/c1-15-9-10-16(19-13-26-11-5-4-8-22(26)23-19)12-18(15)25-30(27,28)14-20-17-6-2-3-7-21(17)29-24-20/h2-13,25H,14H2,1H3
InChIKeyVSKNCFRRSHHSQS-UHFFFAOYSA-N
XLogP4.39
TPSA89.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122283837
1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)methanesulfonamide
CID 122323269
1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122284009
1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide
CID 122283480
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)ethanesulfonamide
CID 23608319
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 122283515
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)methanesulfonamide
CID 122323264
4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide
CID 122283678
1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521
1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)methanesulfonamide
CID 122323242
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 735320
2-ethyl-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)butanamide
CID 121055624

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide (CID 122283665) is 1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide is Cc1ccc(-c2cn3ccccc3n2)cc1NS(=O)(=O)Cc1noc2ccccc12.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide?
The InChIKey is VSKNCFRRSHHSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-15-9-10-16(19-13-26-11-5-4-8-22(26)23-19)12-18(15)25-30(27,28)14-20-17-6-2-3-7-21(17)29-24-20/h2-13,25H,14H2,1H3.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide has a molecular weight of 418.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 122283665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).