1-N,1-N,7-trimethylbenzimidazole-1,2-diamine

C10H14N4 — CID 83017594

IUPAC1-N,1-N,7-trimethylbenzimidazole-1,2-diamine
SMILESCc1cccc2nc(N)n(N(C)C)c12
InChIInChI=1S/C10H14N4/c1-7-5-4-6-8-9(7)14(13(2)3)10(11)12-8/h4-6H,1-3H3,(H2,11,12)
InChIKeyDYKQEGLOUMMBIH-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.12
Rot. Bonds1

About 1-N,1-N,7-trimethylbenzimidazole-1,2-diamine

1-N,1-N,7-trimethylbenzimidazole-1,2-diamine (PubChem CID 83017594) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-N,1-N,7-trimethylbenzimidazole-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,7-trimethylbenzimidazole-1,2-diamine
PubChem CID83017594
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1-N,1-N,7-trimethylbenzimidazole-1,2-diamine
SMILESCc1cccc2nc(N)n(N(C)C)c12
InChIInChI=1S/C10H14N4/c1-7-5-4-6-8-9(7)14(13(2)3)10(11)12-8/h4-6H,1-3H3,(H2,11,12)
InChIKeyDYKQEGLOUMMBIH-UHFFFAOYSA-N
XLogP1.12
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,7-trimethylbenzimidazole-1,2-diamine?
The IUPAC name of 1-N,1-N,7-trimethylbenzimidazole-1,2-diamine (CID 83017594) is 1-N,1-N,7-trimethylbenzimidazole-1,2-diamine.
What is the SMILES notation for 1-N,1-N,7-trimethylbenzimidazole-1,2-diamine?
The canonical SMILES for 1-N,1-N,7-trimethylbenzimidazole-1,2-diamine is Cc1cccc2nc(N)n(N(C)C)c12.
What is the InChIKey of 1-N,1-N,7-trimethylbenzimidazole-1,2-diamine?
The InChIKey is DYKQEGLOUMMBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-7-5-4-6-8-9(7)14(13(2)3)10(11)12-8/h4-6H,1-3H3,(H2,11,12).
What are the key properties of 1-N,1-N,7-trimethylbenzimidazole-1,2-diamine?
1-N,1-N,7-trimethylbenzimidazole-1,2-diamine has a molecular weight of 190.25 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,7-trimethylbenzimidazole-1,2-diamine is sourced from PubChem (CID 83017594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).