2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine

C16H18N4 — CID 130231841

IUPAC2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)cc1Cn1cnc2ccccc21
InChIInChI=1S/C16H18N4/c1-19(2)15-8-7-13(17)9-12(15)10-20-11-18-14-5-3-4-6-16(14)20/h3-9,11H,10,17H2,1-2H3
InChIKeyWFJZTSSMKPMVNG-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.73
Rot. Bonds3

About 2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine

2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine (PubChem CID 130231841) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
PubChem CID130231841
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)cc1Cn1cnc2ccccc21
InChIInChI=1S/C16H18N4/c1-19(2)15-8-7-13(17)9-12(15)10-20-11-18-14-5-3-4-6-16(14)20/h3-9,11H,10,17H2,1-2H3
InChIKeyWFJZTSSMKPMVNG-UHFFFAOYSA-N
XLogP2.73
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(2-ethylphenyl)methyl]benzimidazol-5-amine
CID 64694587
3-(benzimidazol-1-ylmethyl)-2-bromoaniline
CID 114048546
2-(benzimidazol-1-ylmethyl)-5-fluoroaniline
CID 64768227
1-[(2-bromophenyl)methyl]benzimidazol-5-amine
CID 62508387
1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 830340
3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline
CID 156644269
1-benzylbenzimidazol-5-amine;trihydrochloride
CID 53422372
1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole
CID 113411916
4,5-bis(benzimidazol-1-ylmethyl)acridine
CID 102172067
1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine
CID 112671985
1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 830343
[3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine
CID 62016875

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine (CID 130231841) is 2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(N)cc1Cn1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The InChIKey is WFJZTSSMKPMVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-19(2)15-8-7-13(17)9-12(15)10-20-11-18-14-5-3-4-6-16(14)20/h3-9,11H,10,17H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine has a molecular weight of 266.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 130231841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).