2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole

C19H15N3OS — CID 15059490

IUPAC2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole
SMILESCc1ccnc(-c2ccccc2S(=O)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H15N3OS/c1-13-10-11-20-17(12-13)14-6-2-5-9-18(14)24(23)19-21-15-7-3-4-8-16(15)22-19/h2-12H,1H3,(H,21,22)
InChIKeyUKZIFWBIJKBBOH-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.10
Rot. Bonds3

About 2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole

2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole (PubChem CID 15059490) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole
PubChem CID15059490
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole
SMILESCc1ccnc(-c2ccccc2S(=O)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H15N3OS/c1-13-10-11-20-17(12-13)14-6-2-5-9-18(14)24(23)19-21-15-7-3-4-8-16(15)22-19/h2-12H,1H3,(H,21,22)
InChIKeyUKZIFWBIJKBBOH-UHFFFAOYSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole
CID 19866725
ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate
CID 15059508
2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride
CID 139238299
2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole
CID 19866742
4-methyl-2-naphthalen-1-ylpyridine
CID 13433020
2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole
CID 21281954
2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole
CID 10109320
1H-benzimidazole-2-sulfinate
CID 23000784
2-(1H-benzimidazol-2-ylsulfinyl)-3-methylaniline
CID 67817601
2-(2-iodophenyl)-4-methylpyridine
CID 146532443
6-methyl-2-[(S)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole
CID 124507868
6-methyl-2-[(R)-[(1R)-1-pyridin-2-ylethyl]sulfinyl]-1H-benzimidazole
CID 124507869

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole?
The IUPAC name of 2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole (CID 15059490) is 2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole.
What is the SMILES notation for 2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole?
The canonical SMILES for 2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole is Cc1ccnc(-c2ccccc2S(=O)c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole?
The InChIKey is UKZIFWBIJKBBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-13-10-11-20-17(12-13)14-6-2-5-9-18(14)24(23)19-21-15-7-3-4-8-16(15)22-19/h2-12H,1H3,(H,21,22).
What are the key properties of 2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole?
2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole has a molecular weight of 333.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole is sourced from PubChem (CID 15059490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).