5-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole

C16H16ClN3O3S — CID 70361530

IUPAC5-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole
SMILESCOc1ccnc(CS(=O)c2nc3cc(Cl)ccc3n2C)c1OC
InChIInChI=1S/C16H16ClN3O3S/c1-20-13-5-4-10(17)8-11(13)19-16(20)24(21)9-12-15(23-3)14(22-2)6-7-18-12/h4-8H,9H2,1-3H3
InChIKeyNRKPHGZXDBKYCM-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.95
Rot. Bonds5

About 5-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole

5-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole (PubChem CID 70361530) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is 5-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name5-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole
PubChem CID70361530
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name5-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole
SMILESCOc1ccnc(CS(=O)c2nc3cc(Cl)ccc3n2C)c1OC
InChIInChI=1S/C16H16ClN3O3S/c1-20-13-5-4-10(17)8-11(13)19-16(20)24(21)9-12-15(23-3)14(22-2)6-7-18-12/h4-8H,9H2,1-3H3
InChIKeyNRKPHGZXDBKYCM-UHFFFAOYSA-N
XLogP2.95
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole?
The IUPAC name of 5-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole (CID 70361530) is 5-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole.
What is the SMILES notation for 5-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole?
The canonical SMILES for 5-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole is COc1ccnc(CS(=O)c2nc3cc(Cl)ccc3n2C)c1OC.
What is the InChIKey of 5-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole?
The InChIKey is NRKPHGZXDBKYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c1-20-13-5-4-10(17)8-11(13)19-16(20)24(21)9-12-15(23-3)14(22-2)6-7-18-12/h4-8H,9H2,1-3H3.
What are the key properties of 5-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole?
5-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole has a molecular weight of 365.84 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole is sourced from PubChem (CID 70361530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).