5,6-dihydro-3H-benzimidazol-5-amine

C7H9N3 — CID 67036041

IUPAC5,6-dihydro-3H-benzimidazol-5-amine
SMILESNC1C=c2[nH]cnc2=CC1
InChIInChI=1S/C7H9N3/c8-5-1-2-6-7(3-5)10-4-9-6/h2-5H,1,8H2,(H,9,10)
InChIKeyJMRFSYHTMUJGCH-UHFFFAOYSA-N
MW135.17 g/mol
LogP-1.30
Rot. Bonds

About 5,6-dihydro-3H-benzimidazol-5-amine

5,6-dihydro-3H-benzimidazol-5-amine (PubChem CID 67036041) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 5,6-dihydro-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name5,6-dihydro-3H-benzimidazol-5-amine
PubChem CID67036041
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name5,6-dihydro-3H-benzimidazol-5-amine
SMILESNC1C=c2[nH]cnc2=CC1
InChIInChI=1S/C7H9N3/c8-5-1-2-6-7(3-5)10-4-9-6/h2-5H,1,8H2,(H,9,10)
InChIKeyJMRFSYHTMUJGCH-UHFFFAOYSA-N
XLogP-1.30
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-3H-benzimidazol-5-amine?
The IUPAC name of 5,6-dihydro-3H-benzimidazol-5-amine (CID 67036041) is 5,6-dihydro-3H-benzimidazol-5-amine.
What is the SMILES notation for 5,6-dihydro-3H-benzimidazol-5-amine?
The canonical SMILES for 5,6-dihydro-3H-benzimidazol-5-amine is NC1C=c2[nH]cnc2=CC1.
What is the InChIKey of 5,6-dihydro-3H-benzimidazol-5-amine?
The InChIKey is JMRFSYHTMUJGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c8-5-1-2-6-7(3-5)10-4-9-6/h2-5H,1,8H2,(H,9,10).
What are the key properties of 5,6-dihydro-3H-benzimidazol-5-amine?
5,6-dihydro-3H-benzimidazol-5-amine has a molecular weight of 135.17 g/mol, XLogP of -1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-3H-benzimidazol-5-amine is sourced from PubChem (CID 67036041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).