2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine

C13H17N7 — CID 126820488

IUPAC2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine
SMILESCN(C)c1nc2ccc(NCc3cnnn3C)cc2[nH]1
InChIInChI=1S/C13H17N7/c1-19(2)13-16-11-5-4-9(6-12(11)17-13)14-7-10-8-15-18-20(10)3/h4-6,8,14H,7H2,1-3H3,(H,16,17)
InChIKeyQOGDRVOOTCSHJB-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.37
Rot. Bonds4

About 2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine

2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine (PubChem CID 126820488) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine
PubChem CID126820488
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine
SMILESCN(C)c1nc2ccc(NCc3cnnn3C)cc2[nH]1
InChIInChI=1S/C13H17N7/c1-19(2)13-16-11-5-4-9(6-12(11)17-13)14-7-10-8-15-18-20(10)3/h4-6,8,14H,7H2,1-3H3,(H,16,17)
InChIKeyQOGDRVOOTCSHJB-UHFFFAOYSA-N
XLogP1.37
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine?
The IUPAC name of 2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine (CID 126820488) is 2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine is CN(C)c1nc2ccc(NCc3cnnn3C)cc2[nH]1.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine?
The InChIKey is QOGDRVOOTCSHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-19(2)13-16-11-5-4-9(6-12(11)17-13)14-7-10-8-15-18-20(10)3/h4-6,8,14H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine?
2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine has a molecular weight of 271.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-5-N-[(3-methyltriazol-4-yl)methyl]-3H-benzimidazole-2,5-diamine is sourced from PubChem (CID 126820488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).