1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine

C19H19N3OS — CID 166348965

IUPAC1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
SMILESCOc1ccc2nc(CN(C)Cc3csc4ccccc34)[nH]c2c1
InChIInChI=1S/C19H19N3OS/c1-22(10-13-12-24-18-6-4-3-5-15(13)18)11-19-20-16-8-7-14(23-2)9-17(16)21-19/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyCARHHGAMBUXEKO-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.42
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine

1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine (PubChem CID 166348965) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
PubChem CID166348965
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
SMILESCOc1ccc2nc(CN(C)Cc3csc4ccccc34)[nH]c2c1
InChIInChI=1S/C19H19N3OS/c1-22(10-13-12-24-18-6-4-3-5-15(13)18)11-19-20-16-8-7-14(23-2)9-17(16)21-19/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyCARHHGAMBUXEKO-UHFFFAOYSA-N
XLogP4.42
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine (CID 166348965) is 1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine is COc1ccc2nc(CN(C)Cc3csc4ccccc34)[nH]c2c1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine?
The InChIKey is CARHHGAMBUXEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-22(10-13-12-24-18-6-4-3-5-15(13)18)11-19-20-16-8-7-14(23-2)9-17(16)21-19/h3-9,12H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine?
1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine has a molecular weight of 337.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 166348965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).