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

C19H25N3 — CID 680312

IUPAC4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C2N(C)c3ccccc3N2C)cc1
InChIInChI=1S/C19H25N3/c1-5-22(6-2)16-13-11-15(12-14-16)19-20(3)17-9-7-8-10-18(17)21(19)4/h7-14,19H,5-6H2,1-4H3
InChIKeySCMPNFYRQHZIMY-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.12
Rot. Bonds4

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

4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diethylaniline (PubChem CID 680312) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diethylaniline
PubChem CID680312
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C2N(C)c3ccccc3N2C)cc1
InChIInChI=1S/C19H25N3/c1-5-22(6-2)16-13-11-15(12-14-16)19-20(3)17-9-7-8-10-18(17)21(19)4/h7-14,19H,5-6H2,1-4H3
InChIKeySCMPNFYRQHZIMY-UHFFFAOYSA-N
XLogP4.12
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diethylaniline 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 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diethylaniline?
The IUPAC name of 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diethylaniline (CID 680312) is 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diethylaniline.
What is the SMILES notation for 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diethylaniline?
The canonical SMILES for 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diethylaniline is CCN(CC)c1ccc(C2N(C)c3ccccc3N2C)cc1.
What is the InChIKey of 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diethylaniline?
The InChIKey is SCMPNFYRQHZIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-5-22(6-2)16-13-11-15(12-14-16)19-20(3)17-9-7-8-10-18(17)21(19)4/h7-14,19H,5-6H2,1-4H3.
What are the key properties of 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diethylaniline?
4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diethylaniline has a molecular weight of 295.43 g/mol, XLogP of 4.12, 4 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-diethylaniline is sourced from PubChem (CID 680312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).