6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole

C12H15N3OS — CID 62328459

IUPAC6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole
SMILESCOc1ccc2nc(SC3CCNC3)[nH]c2c1
InChIInChI=1S/C12H15N3OS/c1-16-8-2-3-10-11(6-8)15-12(14-10)17-9-4-5-13-7-9/h2-3,6,9,13H,4-5,7H2,1H3,(H,14,15)
InChIKeyBEJFQWCXQWNRCV-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.03
Rot. Bonds3

About 6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole

6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole (PubChem CID 62328459) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole
PubChem CID62328459
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole
SMILESCOc1ccc2nc(SC3CCNC3)[nH]c2c1
InChIInChI=1S/C12H15N3OS/c1-16-8-2-3-10-11(6-8)15-12(14-10)17-9-4-5-13-7-9/h2-3,6,9,13H,4-5,7H2,1H3,(H,14,15)
InChIKeyBEJFQWCXQWNRCV-UHFFFAOYSA-N
XLogP2.03
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine
CID 55114980
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
N-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine
CID 64904939
5,6-dimethoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one
CID 42656177
6-methoxy-2-(oxiran-2-ylmethylsulfanyl)-1H-benzimidazole
CID 43187883
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine
CID 61386508
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
N-(cyclopropylmethyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62583195
(3R)-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 29127081
2-but-3-ynylsulfanyl-6-methoxy-1H-benzimidazole
CID 63655056
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-one
CID 64715864
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
CID 62229190

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole (CID 62328459) is 6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole is COc1ccc2nc(SC3CCNC3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole?
The InChIKey is BEJFQWCXQWNRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-16-8-2-3-10-11(6-8)15-12(14-10)17-9-4-5-13-7-9/h2-3,6,9,13H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole?
6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole has a molecular weight of 249.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole is sourced from PubChem (CID 62328459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).