1,4,6-trimethylbenzimidazol-5-amine

C10H13N3 — CID 146288405

IUPAC1,4,6-trimethylbenzimidazol-5-amine
SMILESCc1cc2c(ncn2C)c(C)c1N
InChIInChI=1S/C10H13N3/c1-6-4-8-10(7(2)9(6)11)12-5-13(8)3/h4-5H,11H2,1-3H3
InChIKeyGYTKIZOQIDVMQF-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.77
Rot. Bonds

About 1,4,6-trimethylbenzimidazol-5-amine

1,4,6-trimethylbenzimidazol-5-amine (PubChem CID 146288405) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1,4,6-trimethylbenzimidazol-5-amine.

Molecular Properties

Compound Name1,4,6-trimethylbenzimidazol-5-amine
PubChem CID146288405
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name1,4,6-trimethylbenzimidazol-5-amine
SMILESCc1cc2c(ncn2C)c(C)c1N
InChIInChI=1S/C10H13N3/c1-6-4-8-10(7(2)9(6)11)12-5-13(8)3/h4-5H,11H2,1-3H3
InChIKeyGYTKIZOQIDVMQF-UHFFFAOYSA-N
XLogP1.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1,6-dimethylbenzimidazol-5-amine
CID 155332352
1,6-dimethylimidazo[4,5-c]pyridin-4-amine
CID 141069874
4-bromo-1,6-dimethylbenzimidazole
CID 68775248
4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
CID 1474186
1-(6-amino-7-fluoro-3-methylbenzimidazol-5-yl)ethanone
CID 89387906
4,6-dimethyl-1H-benzimidazol-5-amine
CID 18400127
2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
CID 1474191
1,7-dimethylbenzimidazol-4-amine
CID 59319967
4-methyl-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrazol-3-amine
CID 103386201
2-methyl-4-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline
CID 103385875
2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
CID 1474204
1-methyl-6-[[4-methyl-6-(methyliminomethyl)-3-pyridinyl]oxy]benzimidazol-4-amine
CID 163940698

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethylbenzimidazol-5-amine?
The IUPAC name of 1,4,6-trimethylbenzimidazol-5-amine (CID 146288405) is 1,4,6-trimethylbenzimidazol-5-amine.
What is the SMILES notation for 1,4,6-trimethylbenzimidazol-5-amine?
The canonical SMILES for 1,4,6-trimethylbenzimidazol-5-amine is Cc1cc2c(ncn2C)c(C)c1N.
What is the InChIKey of 1,4,6-trimethylbenzimidazol-5-amine?
The InChIKey is GYTKIZOQIDVMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-6-4-8-10(7(2)9(6)11)12-5-13(8)3/h4-5H,11H2,1-3H3.
What are the key properties of 1,4,6-trimethylbenzimidazol-5-amine?
1,4,6-trimethylbenzimidazol-5-amine has a molecular weight of 175.23 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethylbenzimidazol-5-amine is sourced from PubChem (CID 146288405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).