5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline

C18H21N3 — CID 82333570

IUPAC5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline
SMILESCCc1ccc2c(c1)nc(-c1ccc(C)c(N)c1)n2CC
InChIInChI=1S/C18H21N3/c1-4-13-7-9-17-16(10-13)20-18(21(17)5-2)14-8-6-12(3)15(19)11-14/h6-11H,4-5,19H2,1-3H3
InChIKeyIQKVPDRNCGHXPF-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.18
Rot. Bonds3

About 5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline

5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline (PubChem CID 82333570) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline
PubChem CID82333570
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline
SMILESCCc1ccc2c(c1)nc(-c1ccc(C)c(N)c1)n2CC
InChIInChI=1S/C18H21N3/c1-4-13-7-9-17-16(10-13)20-18(21(17)5-2)14-8-6-12(3)15(19)11-14/h6-11H,4-5,19H2,1-3H3
InChIKeyIQKVPDRNCGHXPF-UHFFFAOYSA-N
XLogP4.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline 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 5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline?
The IUPAC name of 5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline (CID 82333570) is 5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline?
The canonical SMILES for 5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline is CCc1ccc2c(c1)nc(-c1ccc(C)c(N)c1)n2CC.
What is the InChIKey of 5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline?
The InChIKey is IQKVPDRNCGHXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-4-13-7-9-17-16(10-13)20-18(21(17)5-2)14-8-6-12(3)15(19)11-14/h6-11H,4-5,19H2,1-3H3.
What are the key properties of 5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline?
5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline has a molecular weight of 279.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline is sourced from PubChem (CID 82333570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).