3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine

C8H13N3 — CID 82417237

IUPAC3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
SMILESCn1cnc2c1CC(N)CC2
InChIInChI=1S/C8H13N3/c1-11-5-10-7-3-2-6(9)4-8(7)11/h5-6H,2-4,9H2,1H3
InChIKeyQFOGPABVGAOTCZ-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.24
Rot. Bonds

About 3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine

3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine (PubChem CID 82417237) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine.

Molecular Properties

Compound Name3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
PubChem CID82417237
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
SMILESCn1cnc2c1CC(N)CC2
InChIInChI=1S/C8H13N3/c1-11-5-10-7-3-2-6(9)4-8(7)11/h5-6H,2-4,9H2,1H3
InChIKeyQFOGPABVGAOTCZ-UHFFFAOYSA-N
XLogP0.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The IUPAC name of 3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine (CID 82417237) is 3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine.
What is the SMILES notation for 3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The canonical SMILES for 3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine is Cn1cnc2c1CC(N)CC2.
What is the InChIKey of 3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The InChIKey is QFOGPABVGAOTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-11-5-10-7-3-2-6(9)4-8(7)11/h5-6H,2-4,9H2,1H3.
What are the key properties of 3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine has a molecular weight of 151.21 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine is sourced from PubChem (CID 82417237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).