2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine

C7H11N3 — CID 68648485

IUPAC2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine
SMILESNC1=CC2NCNC2C=C1
InChIInChI=1S/C7H11N3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,6-7,9-10H,4,8H2
InChIKeyGIJPGLRDZRQEMT-UHFFFAOYSA-N
MW137.19 g/mol
LogP-0.71
Rot. Bonds

About 2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine

2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine (PubChem CID 68648485) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine.

Molecular Properties

Compound Name2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine
PubChem CID68648485
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine
SMILESNC1=CC2NCNC2C=C1
InChIInChI=1S/C7H11N3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,6-7,9-10H,4,8H2
InChIKeyGIJPGLRDZRQEMT-UHFFFAOYSA-N
XLogP-0.71
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine?
The IUPAC name of 2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine (CID 68648485) is 2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine.
What is the SMILES notation for 2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine?
The canonical SMILES for 2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine is NC1=CC2NCNC2C=C1.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine?
The InChIKey is GIJPGLRDZRQEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,6-7,9-10H,4,8H2.
What are the key properties of 2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine?
2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine has a molecular weight of 137.19 g/mol, XLogP of -0.71, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,7a-tetrahydro-1H-benzimidazol-5-amine is sourced from PubChem (CID 68648485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).