4,5,6,7-tetrahydro-1H-benzimidazol-4-amine

C7H11N3 — CID 80503161

IUPAC4,5,6,7-tetrahydro-1H-benzimidazol-4-amine
SMILESNC1CCCc2[nH]cnc21
InChIInChI=1S/C7H11N3/c8-5-2-1-3-6-7(5)10-4-9-6/h4-5H,1-3,8H2,(H,9,10)
InChIKeyIUWQKKXSWXHIBQ-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.75
Rot. Bonds

About 4,5,6,7-tetrahydro-1H-benzimidazol-4-amine

4,5,6,7-tetrahydro-1H-benzimidazol-4-amine (PubChem CID 80503161) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-benzimidazol-4-amine
PubChem CID80503161
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name4,5,6,7-tetrahydro-1H-benzimidazol-4-amine
SMILESNC1CCCc2[nH]cnc21
InChIInChI=1S/C7H11N3/c8-5-2-1-3-6-7(5)10-4-9-6/h4-5H,1-3,8H2,(H,9,10)
InChIKeyIUWQKKXSWXHIBQ-UHFFFAOYSA-N
XLogP0.75
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-benzimidazol-4-amine?
The IUPAC name of 4,5,6,7-tetrahydro-1H-benzimidazol-4-amine (CID 80503161) is 4,5,6,7-tetrahydro-1H-benzimidazol-4-amine.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-benzimidazol-4-amine?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-benzimidazol-4-amine is NC1CCCc2[nH]cnc21.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-benzimidazol-4-amine?
The InChIKey is IUWQKKXSWXHIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c8-5-2-1-3-6-7(5)10-4-9-6/h4-5H,1-3,8H2,(H,9,10).
What are the key properties of 4,5,6,7-tetrahydro-1H-benzimidazol-4-amine?
4,5,6,7-tetrahydro-1H-benzimidazol-4-amine has a molecular weight of 137.19 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-benzimidazol-4-amine is sourced from PubChem (CID 80503161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).