2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine

C10H17N3 — CID 83434456

IUPAC2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine
SMILESCn1cnc2c1CC(CCN)CC2
InChIInChI=1S/C10H17N3/c1-13-7-12-9-3-2-8(4-5-11)6-10(9)13/h7-8H,2-6,11H2,1H3
InChIKeyUDLMGUPOJFTWOI-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.87
Rot. Bonds2

About 2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine

2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine (PubChem CID 83434456) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine
PubChem CID83434456
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine
SMILESCn1cnc2c1CC(CCN)CC2
InChIInChI=1S/C10H17N3/c1-13-7-12-9-3-2-8(4-5-11)6-10(9)13/h7-8H,2-6,11H2,1H3
InChIKeyUDLMGUPOJFTWOI-UHFFFAOYSA-N
XLogP0.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine?
The IUPAC name of 2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine (CID 83434456) is 2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine is Cn1cnc2c1CC(CCN)CC2.
What is the InChIKey of 2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine?
The InChIKey is UDLMGUPOJFTWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-13-7-12-9-3-2-8(4-5-11)6-10(9)13/h7-8H,2-6,11H2,1H3.
What are the key properties of 2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine?
2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine has a molecular weight of 179.27 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine is sourced from PubChem (CID 83434456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).