4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline

C17H19N3 — CID 666838

IUPAC4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline
SMILESCCn1c(-c2ccc(N(C)C)cc2)nc2ccccc21
InChIInChI=1S/C17H19N3/c1-4-20-16-8-6-5-7-15(16)18-17(20)13-9-11-14(12-10-13)19(2)3/h5-12H,4H2,1-3H3
InChIKeyKQERGFGNNIWLDR-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.79
Rot. Bonds3

About 4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline

4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline (PubChem CID 666838) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline
PubChem CID666838
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline
SMILESCCn1c(-c2ccc(N(C)C)cc2)nc2ccccc21
InChIInChI=1S/C17H19N3/c1-4-20-16-8-6-5-7-15(16)18-17(20)13-9-11-14(12-10-13)19(2)3/h5-12H,4H2,1-3H3
InChIKeyKQERGFGNNIWLDR-UHFFFAOYSA-N
XLogP3.79
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.79
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 4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline (CID 666838) is 4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline is CCn1c(-c2ccc(N(C)C)cc2)nc2ccccc21.
What is the InChIKey of 4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline?
The InChIKey is KQERGFGNNIWLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-4-20-16-8-6-5-7-15(16)18-17(20)13-9-11-14(12-10-13)19(2)3/h5-12H,4H2,1-3H3.
What are the key properties of 4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline?
4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline has a molecular weight of 265.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylbenzimidazol-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 666838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).