1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-amine

C16H17N3O2S — CID 45253889

IUPAC1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-amine
SMILESCC(C)c1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1
InChIInChI=1S/C16H17N3O2S/c1-11(2)12-7-9-13(10-8-12)22(20,21)19-15-6-4-3-5-14(15)18-16(19)17/h3-11H,1-2H3,(H2,17,18)
InChIKeyOIAMQNHAOKMRJZ-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.98
Rot. Bonds3

About 1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-amine

1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-amine (PubChem CID 45253889) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-amine
PubChem CID45253889
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-amine
SMILESCC(C)c1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1
InChIInChI=1S/C16H17N3O2S/c1-11(2)12-7-9-13(10-8-12)22(20,21)19-15-6-4-3-5-14(15)18-16(19)17/h3-11H,1-2H3,(H2,17,18)
InChIKeyOIAMQNHAOKMRJZ-UHFFFAOYSA-N
XLogP2.98
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-amine?
The IUPAC name of 1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-amine (CID 45253889) is 1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-amine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-amine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-amine is CC(C)c1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-amine?
The InChIKey is OIAMQNHAOKMRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11(2)12-7-9-13(10-8-12)22(20,21)19-15-6-4-3-5-14(15)18-16(19)17/h3-11H,1-2H3,(H2,17,18).
What are the key properties of 1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-amine?
1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-amine has a molecular weight of 315.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-amine is sourced from PubChem (CID 45253889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).