(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium

C14H20N7OS+ — CID 7248407

IUPAC(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
SMILESCn1nnnc1SCC[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C14H19N7OS/c1-19-11-5-4-10(8-12(11)20(2)14(19)22)9-15-6-7-23-13-16-17-18-21(13)3/h4-5,8,15H,6-7,9H2,1-3H3/p+1
InChIKeySRHDWNCSCJQQBI-UHFFFAOYSA-O
MW334.43 g/mol
LogP-0.74
Rot. Bonds6

About (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium

(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium (PubChem CID 7248407) has the molecular formula C14H20N7OS+ and a molecular weight of 334.43 g/mol. Its IUPAC name is (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium.

Molecular Properties

Compound Name(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
PubChem CID7248407
Molecular FormulaC14H20N7OS+
Molecular Weight334.43 g/mol
Exact Mass334.14
IUPAC Name(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
SMILESCn1nnnc1SCC[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C14H19N7OS/c1-19-11-5-4-10(8-12(11)20(2)14(19)22)9-15-6-7-23-13-16-17-18-21(13)3/h4-5,8,15H,6-7,9H2,1-3H3/p+1
InChIKeySRHDWNCSCJQQBI-UHFFFAOYSA-O
XLogP-0.74
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7450464
2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium
CID 7005222
(4-ethoxyphenyl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7449437
(3,4-diethoxyphenyl)methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 8639828
(5-bromo-2-methoxyphenyl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium chloride
CID 44664242
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 8622356
[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 8639858
(2,6-dichlorophenyl)methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 8639757
[5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7248404
1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one
CID 154349442
(3-bromo-5-ethoxy-4-methoxyphenyl)methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 7447666
N-[(3,4-dimethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
CID 17060117

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium?
The IUPAC name of (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium (CID 7248407) is (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium.
What is the SMILES notation for (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium?
The canonical SMILES for (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium is Cn1nnnc1SCC[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium?
The InChIKey is SRHDWNCSCJQQBI-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19N7OS/c1-19-11-5-4-10(8-12(11)20(2)14(19)22)9-15-6-7-23-13-16-17-18-21(13)3/h4-5,8,15H,6-7,9H2,1-3H3/p+1.
What are the key properties of (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium?
(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium has a molecular weight of 334.43 g/mol, XLogP of -0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium is sourced from PubChem (CID 7248407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).