N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine

C14H19N7S — CID 131916332

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
SMILESCCn1c(CNCCSc2nnnn2C)nc2ccccc21
InChIInChI=1S/C14H19N7S/c1-3-21-12-7-5-4-6-11(12)16-13(21)10-15-8-9-22-14-17-18-19-20(14)2/h4-7,15H,3,8-10H2,1-2H3
InChIKeyIMXALPGUHJMNJS-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.46
Rot. Bonds7

About N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine (PubChem CID 131916332) has the molecular formula C14H19N7S and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
PubChem CID131916332
Molecular FormulaC14H19N7S
Molecular Weight317.42 g/mol
Exact Mass317.14
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
SMILESCCn1c(CNCCSc2nnnn2C)nc2ccccc21
InChIInChI=1S/C14H19N7S/c1-3-21-12-7-5-4-6-11(12)16-13(21)10-15-8-9-22-14-17-18-19-20(14)2/h4-7,15H,3,8-10H2,1-2H3
InChIKeyIMXALPGUHJMNJS-UHFFFAOYSA-N
XLogP1.46
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.46
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

N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115574819
2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 54906324
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine
CID 60696042
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 47145524
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 61020851
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylsulfanylethanamine
CID 62999735
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
N-[(4-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 17291661
N-[(4-chlorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine chloride
CID 53346680

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine (CID 131916332) is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine is CCn1c(CNCCSc2nnnn2C)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The InChIKey is IMXALPGUHJMNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7S/c1-3-21-12-7-5-4-6-11(12)16-13(21)10-15-8-9-22-14-17-18-19-20(14)2/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine has a molecular weight of 317.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine is sourced from PubChem (CID 131916332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).