2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine

C15H16N4 — CID 115126028

IUPAC2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine
SMILESCc1cccc(N)c1N(C)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H16N4/c1-10-4-3-5-12(16)15(10)19(2)11-6-7-13-14(8-11)18-9-17-13/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyYUJMLFVJDQAASC-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.22
Rot. Bonds2

About 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine

2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine (PubChem CID 115126028) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine
PubChem CID115126028
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine
SMILESCc1cccc(N)c1N(C)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H16N4/c1-10-4-3-5-12(16)15(10)19(2)11-6-7-13-14(8-11)18-9-17-13/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyYUJMLFVJDQAASC-UHFFFAOYSA-N
XLogP3.22
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3H-benzimidazol-5-yl)-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123826
2-N-(4-fluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115550393
2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126009
3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide
CID 115160757
2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138063
6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole
CID 144655270
N-(3H-benzimidazol-5-yl)-N-methylacetamide
CID 110869162
2-[3H-benzimidazol-5-yl(methyl)amino]ethanol
CID 115216158
N-(3H-benzimidazol-5-yl)-N,3,4-trimethylbenzenesulfonamide
CID 110869230
2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126021
2-[3H-benzimidazol-5-yl(methyl)amino]-2-oxoacetic acid
CID 115141264
N-(3-chloropropyl)-N-methyl-3H-benzimidazol-5-amine
CID 115215551

Frequently Asked Questions

What is the IUPAC name of 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine (CID 115126028) is 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine is Cc1cccc(N)c1N(C)c1ccc2nc[nH]c2c1.
What is the InChIKey of 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine?
The InChIKey is YUJMLFVJDQAASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10-4-3-5-12(16)15(10)19(2)11-6-7-13-14(8-11)18-9-17-13/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine?
2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115126028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).