N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline

C19H23N3O — CID 146024291

IUPACN,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline
SMILESCCN(CC)c1ccc(-c2nc3cc(OC)ccc3n2C)cc1
InChIInChI=1S/C19H23N3O/c1-5-22(6-2)15-9-7-14(8-10-15)19-20-17-13-16(23-4)11-12-18(17)21(19)3/h7-13H,5-6H2,1-4H3
InChIKeyMTKXAWVADZUXLR-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.10
Rot. Bonds5

About N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline

N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline (PubChem CID 146024291) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline
PubChem CID146024291
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline
SMILESCCN(CC)c1ccc(-c2nc3cc(OC)ccc3n2C)cc1
InChIInChI=1S/C19H23N3O/c1-5-22(6-2)15-9-7-14(8-10-15)19-20-17-13-16(23-4)11-12-18(17)21(19)3/h7-13H,5-6H2,1-4H3
InChIKeyMTKXAWVADZUXLR-UHFFFAOYSA-N
XLogP4.10
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline?
The IUPAC name of N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline (CID 146024291) is N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline.
What is the SMILES notation for N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline?
The canonical SMILES for N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline is CCN(CC)c1ccc(-c2nc3cc(OC)ccc3n2C)cc1.
What is the InChIKey of N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline?
The InChIKey is MTKXAWVADZUXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-5-22(6-2)15-9-7-14(8-10-15)19-20-17-13-16(23-4)11-12-18(17)21(19)3/h7-13H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline?
N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline has a molecular weight of 309.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 146024291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).