N,N-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline

C16H17N3 — CID 744236

IUPACN,N-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline
SMILESCN(C)c1ccc(-c2nc3ccccc3n2C)cc1
InChIInChI=1S/C16H17N3/c1-18(2)13-10-8-12(9-11-13)16-17-14-6-4-5-7-15(14)19(16)3/h4-11H,1-3H3
InChIKeyUPHHTAKTKIWBHH-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.31
Rot. Bonds2

About N,N-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline

N,N-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline (PubChem CID 744236) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,N-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline
PubChem CID744236
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN,N-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline
SMILESCN(C)c1ccc(-c2nc3ccccc3n2C)cc1
InChIInChI=1S/C16H17N3/c1-18(2)13-10-8-12(9-11-13)16-17-14-6-4-5-7-15(14)19(16)3/h4-11H,1-3H3
InChIKeyUPHHTAKTKIWBHH-UHFFFAOYSA-N
XLogP3.31
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline (CID 744236) is N,N-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline is CN(C)c1ccc(-c2nc3ccccc3n2C)cc1.
What is the InChIKey of N,N-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline?
The InChIKey is UPHHTAKTKIWBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-18(2)13-10-8-12(9-11-13)16-17-14-6-4-5-7-15(14)19(16)3/h4-11H,1-3H3.
What are the key properties of N,N-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline?
N,N-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline has a molecular weight of 251.33 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1-methylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 744236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).