3a-methyl-1,4-dihydrobenzimidazol-2-amine

C8H11N3 — CID 160709605

IUPAC3a-methyl-1,4-dihydrobenzimidazol-2-amine
SMILESCC12CC=CC=C1NC(N)=N2
InChIInChI=1S/C8H11N3/c1-8-5-3-2-4-6(8)10-7(9)11-8/h2-4H,5H2,1H3,(H3,9,10,11)
InChIKeyRRRIDSGROUKVIR-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.51
Rot. Bonds

About 3a-methyl-1,4-dihydrobenzimidazol-2-amine

3a-methyl-1,4-dihydrobenzimidazol-2-amine (PubChem CID 160709605) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3a-methyl-1,4-dihydrobenzimidazol-2-amine.

Molecular Properties

Compound Name3a-methyl-1,4-dihydrobenzimidazol-2-amine
PubChem CID160709605
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3a-methyl-1,4-dihydrobenzimidazol-2-amine
SMILESCC12CC=CC=C1NC(N)=N2
InChIInChI=1S/C8H11N3/c1-8-5-3-2-4-6(8)10-7(9)11-8/h2-4H,5H2,1H3,(H3,9,10,11)
InChIKeyRRRIDSGROUKVIR-UHFFFAOYSA-N
XLogP0.51
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a-methyl-1,4-dihydrobenzimidazol-2-amine?
The IUPAC name of 3a-methyl-1,4-dihydrobenzimidazol-2-amine (CID 160709605) is 3a-methyl-1,4-dihydrobenzimidazol-2-amine.
What is the SMILES notation for 3a-methyl-1,4-dihydrobenzimidazol-2-amine?
The canonical SMILES for 3a-methyl-1,4-dihydrobenzimidazol-2-amine is CC12CC=CC=C1NC(N)=N2.
What is the InChIKey of 3a-methyl-1,4-dihydrobenzimidazol-2-amine?
The InChIKey is RRRIDSGROUKVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-8-5-3-2-4-6(8)10-7(9)11-8/h2-4H,5H2,1H3,(H3,9,10,11).
What are the key properties of 3a-methyl-1,4-dihydrobenzimidazol-2-amine?
3a-methyl-1,4-dihydrobenzimidazol-2-amine has a molecular weight of 149.20 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-1,4-dihydrobenzimidazol-2-amine is sourced from PubChem (CID 160709605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).