4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline

C17H21N3 — CID 759333

IUPAC4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2N(C)c3ccccc3N2C)cc1
InChIInChI=1S/C17H21N3/c1-18(2)14-11-9-13(10-12-14)17-19(3)15-7-5-6-8-16(15)20(17)4/h5-12,17H,1-4H3
InChIKeyAKIIMLCQTGCWQQ-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.34
Rot. Bonds2

About 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline

4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline (PubChem CID 759333) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline
PubChem CID759333
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2N(C)c3ccccc3N2C)cc1
InChIInChI=1S/C17H21N3/c1-18(2)14-11-9-13(10-12-14)17-19(3)15-7-5-6-8-16(15)20(17)4/h5-12,17H,1-4H3
InChIKeyAKIIMLCQTGCWQQ-UHFFFAOYSA-N
XLogP3.34
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline (CID 759333) is 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(C2N(C)c3ccccc3N2C)cc1.
What is the InChIKey of 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline?
The InChIKey is AKIIMLCQTGCWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-18(2)14-11-9-13(10-12-14)17-19(3)15-7-5-6-8-16(15)20(17)4/h5-12,17H,1-4H3.
What are the key properties of 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline?
4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline has a molecular weight of 267.38 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 759333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).