2-imino-3-methylbenzimidazol-1-amine

C8H10N4 — CID 870818

IUPAC2-imino-3-methylbenzimidazol-1-amine
SMILES[H]/N=c1\n(C)c2ccccc2n1N
InChIInChI=1S/C8H10N4/c1-11-6-4-2-3-5-7(6)12(10)8(11)9/h2-5,9H,10H2,1H3/b9-8+
InChIKeyIHEOZZHQQVSCML-CMDGGOBGSA-N
MW162.20 g/mol
LogP0.17
Rot. Bonds

About 2-imino-3-methylbenzimidazol-1-amine

2-imino-3-methylbenzimidazol-1-amine (PubChem CID 870818) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-imino-3-methylbenzimidazol-1-amine.

Molecular Properties

Compound Name2-imino-3-methylbenzimidazol-1-amine
PubChem CID870818
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2-imino-3-methylbenzimidazol-1-amine
SMILES[H]/N=c1\n(C)c2ccccc2n1N
InChIInChI=1S/C8H10N4/c1-11-6-4-2-3-5-7(6)12(10)8(11)9/h2-5,9H,10H2,1H3/b9-8+
InChIKeyIHEOZZHQQVSCML-CMDGGOBGSA-N
XLogP0.17
TPSA59.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imino-3-methylbenzimidazol-1-amine?
The IUPAC name of 2-imino-3-methylbenzimidazol-1-amine (CID 870818) is 2-imino-3-methylbenzimidazol-1-amine.
What is the SMILES notation for 2-imino-3-methylbenzimidazol-1-amine?
The canonical SMILES for 2-imino-3-methylbenzimidazol-1-amine is [H]/N=c1\n(C)c2ccccc2n1N.
What is the InChIKey of 2-imino-3-methylbenzimidazol-1-amine?
The InChIKey is IHEOZZHQQVSCML-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H10N4/c1-11-6-4-2-3-5-7(6)12(10)8(11)9/h2-5,9H,10H2,1H3/b9-8+.
What are the key properties of 2-imino-3-methylbenzimidazol-1-amine?
2-imino-3-methylbenzimidazol-1-amine has a molecular weight of 162.20 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-methylbenzimidazol-1-amine is sourced from PubChem (CID 870818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).