N,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline

C16H17N3O — CID 143373932

IUPACN,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline
SMILESCc1nc2ccc(Oc3cccc(N(C)C)c3)cc2[nH]1
InChIInChI=1S/C16H17N3O/c1-11-17-15-8-7-14(10-16(15)18-11)20-13-6-4-5-12(9-13)19(2)3/h4-10H,1-3H3,(H,17,18)
InChIKeyZAEYGWVHQLVVHA-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.73
Rot. Bonds3

About N,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline

N,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline (PubChem CID 143373932) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline
PubChem CID143373932
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline
SMILESCc1nc2ccc(Oc3cccc(N(C)C)c3)cc2[nH]1
InChIInChI=1S/C16H17N3O/c1-11-17-15-8-7-14(10-16(15)18-11)20-13-6-4-5-12(9-13)19(2)3/h4-10H,1-3H3,(H,17,18)
InChIKeyZAEYGWVHQLVVHA-UHFFFAOYSA-N
XLogP3.73
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline?
The IUPAC name of N,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline (CID 143373932) is N,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline.
What is the SMILES notation for N,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline?
The canonical SMILES for N,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline is Cc1nc2ccc(Oc3cccc(N(C)C)c3)cc2[nH]1.
What is the InChIKey of N,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline?
The InChIKey is ZAEYGWVHQLVVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-17-15-8-7-14(10-16(15)18-11)20-13-6-4-5-12(9-13)19(2)3/h4-10H,1-3H3,(H,17,18).
What are the key properties of N,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline?
N,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline has a molecular weight of 267.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-methyl-3H-benzimidazol-5-yl)oxy]aniline is sourced from PubChem (CID 143373932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).