(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(thiophen-2-ylmethyl)azanium

C15H18N3OS+ — CID 7447604

IUPAC(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(thiophen-2-ylmethyl)azanium
SMILESCn1c(=O)n(C)c2cc(C[NH2+]Cc3cccs3)ccc21
InChIInChI=1S/C15H17N3OS/c1-17-13-6-5-11(8-14(13)18(2)15(17)19)9-16-10-12-4-3-7-20-12/h3-8,16H,9-10H2,1-2H3/p+1
InChIKeyIOCWIGHEFXQLMG-UHFFFAOYSA-O
MW288.40 g/mol
LogP1.20
Rot. Bonds4

About (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(thiophen-2-ylmethyl)azanium

(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 7447604) has the molecular formula C15H18N3OS+ and a molecular weight of 288.40 g/mol. Its IUPAC name is (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(thiophen-2-ylmethyl)azanium
PubChem CID7447604
Molecular FormulaC15H18N3OS+
Molecular Weight288.40 g/mol
Exact Mass288.12
IUPAC Name(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(thiophen-2-ylmethyl)azanium
SMILESCn1c(=O)n(C)c2cc(C[NH2+]Cc3cccs3)ccc21
InChIInChI=1S/C15H17N3OS/c1-17-13-6-5-11(8-14(13)18(2)15(17)19)9-16-10-12-4-3-7-20-12/h3-8,16H,9-10H2,1-2H3/p+1
InChIKeyIOCWIGHEFXQLMG-UHFFFAOYSA-O
XLogP1.20
TPSA43.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(thiophen-2-ylmethyl)azanium (CID 7447604) is (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(thiophen-2-ylmethyl)azanium is Cn1c(=O)n(C)c2cc(C[NH2+]Cc3cccs3)ccc21.
What is the InChIKey of (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is IOCWIGHEFXQLMG-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17N3OS/c1-17-13-6-5-11(8-14(13)18(2)15(17)19)9-16-10-12-4-3-7-20-12/h3-8,16H,9-10H2,1-2H3/p+1.
What are the key properties of (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(thiophen-2-ylmethyl)azanium?
(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 288.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 7447604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).