1-N,4-dimethyl-1-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,2-diamine

C16H18N4 — CID 115125011

IUPAC1-N,4-dimethyl-1-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,2-diamine
SMILESCc1ccc(N(C)c2ccc3nc(C)[nH]c3c2)c(N)c1
InChIInChI=1S/C16H18N4/c1-10-4-7-16(13(17)8-10)20(3)12-5-6-14-15(9-12)19-11(2)18-14/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyWMKHYMZHUMOXKV-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.53
Rot. Bonds2

About 1-N,4-dimethyl-1-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,2-diamine

1-N,4-dimethyl-1-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,2-diamine (PubChem CID 115125011) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,2-diamine
PubChem CID115125011
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-N,4-dimethyl-1-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,2-diamine
SMILESCc1ccc(N(C)c2ccc3nc(C)[nH]c3c2)c(N)c1
InChIInChI=1S/C16H18N4/c1-10-4-7-16(13(17)8-10)20(3)12-5-6-14-15(9-12)19-11(2)18-14/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyWMKHYMZHUMOXKV-UHFFFAOYSA-N
XLogP3.53
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.53
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

2-amino-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 82493565
2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid
CID 115141265
N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine
CID 82493713
2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115190207
2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115161938
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole
CID 170127062
2-methyl-3H-benzimidazole-5-thiol
CID 43154899
3-methyl-3-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]butanoic acid
CID 117042372
N,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline
CID 143373932
2,6-dimethyl-3H-benzo[f]benzimidazole;ethane
CID 144506658
1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine
CID 115125026

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,2-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,2-diamine (CID 115125011) is 1-N,4-dimethyl-1-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,2-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,2-diamine is Cc1ccc(N(C)c2ccc3nc(C)[nH]c3c2)c(N)c1.
What is the InChIKey of 1-N,4-dimethyl-1-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,2-diamine?
The InChIKey is WMKHYMZHUMOXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-10-4-7-16(13(17)8-10)20(3)12-5-6-14-15(9-12)19-11(2)18-14/h4-9H,17H2,1-3H3,(H,18,19).
What are the key properties of 1-N,4-dimethyl-1-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,2-diamine?
1-N,4-dimethyl-1-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,2-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,2-diamine is sourced from PubChem (CID 115125011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).