3,3a,4,5-tetrahydro-2H-benzimidazol-4-amine

C7H11N3 — CID 90697220

IUPAC3,3a,4,5-tetrahydro-2H-benzimidazol-4-amine
SMILESNC1CC=CC2=NCNC21
InChIInChI=1S/C7H11N3/c8-5-2-1-3-6-7(5)10-4-9-6/h1,3,5,7,10H,2,4,8H2
InChIKeyGDNHKMVLPGNVTB-UHFFFAOYSA-N
MW137.19 g/mol
LogP-0.36
Rot. Bonds

About 3,3a,4,5-tetrahydro-2H-benzimidazol-4-amine

3,3a,4,5-tetrahydro-2H-benzimidazol-4-amine (PubChem CID 90697220) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3,3a,4,5-tetrahydro-2H-benzimidazol-4-amine.

Molecular Properties

Compound Name3,3a,4,5-tetrahydro-2H-benzimidazol-4-amine
PubChem CID90697220
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3,3a,4,5-tetrahydro-2H-benzimidazol-4-amine
SMILESNC1CC=CC2=NCNC21
InChIInChI=1S/C7H11N3/c8-5-2-1-3-6-7(5)10-4-9-6/h1,3,5,7,10H,2,4,8H2
InChIKeyGDNHKMVLPGNVTB-UHFFFAOYSA-N
XLogP-0.36
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,7a-dihydro-1H-benzimidazole
CID 58625633
1,2,3,3a,4,7a-Hexahydrobenzimidazol-5-imine
CID 90795506
3,3a,4,7a-Tetrahydrobenzimidazol-5-imine
CID 123474456
2,7a-dihydro-1H-benzimidazol-2-amine
CID 173180409

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5-tetrahydro-2H-benzimidazol-4-amine?
The IUPAC name of 3,3a,4,5-tetrahydro-2H-benzimidazol-4-amine (CID 90697220) is 3,3a,4,5-tetrahydro-2H-benzimidazol-4-amine.
What is the SMILES notation for 3,3a,4,5-tetrahydro-2H-benzimidazol-4-amine?
The canonical SMILES for 3,3a,4,5-tetrahydro-2H-benzimidazol-4-amine is NC1CC=CC2=NCNC21.
What is the InChIKey of 3,3a,4,5-tetrahydro-2H-benzimidazol-4-amine?
The InChIKey is GDNHKMVLPGNVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c8-5-2-1-3-6-7(5)10-4-9-6/h1,3,5,7,10H,2,4,8H2.
What are the key properties of 3,3a,4,5-tetrahydro-2H-benzimidazol-4-amine?
3,3a,4,5-tetrahydro-2H-benzimidazol-4-amine has a molecular weight of 137.19 g/mol, XLogP of -0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5-tetrahydro-2H-benzimidazol-4-amine is sourced from PubChem (CID 90697220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).