N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline

C17H19N3 — CID 2991404

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline
SMILESCCn1c(CN(C)c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H19N3/c1-3-20-16-12-8-7-11-15(16)18-17(20)13-19(2)14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3
InChIKeyKWWSXYCFVNTAIJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.69
Rot. Bonds4

About N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline

N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline (PubChem CID 2991404) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline
PubChem CID2991404
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline
SMILESCCn1c(CN(C)c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H19N3/c1-3-20-16-12-8-7-11-15(16)18-17(20)13-19(2)14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3
InChIKeyKWWSXYCFVNTAIJ-UHFFFAOYSA-N
XLogP3.69
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline (CID 2991404) is N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline is CCn1c(CN(C)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline?
The InChIKey is KWWSXYCFVNTAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-20-16-12-8-7-11-15(16)18-17(20)13-19(2)14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline?
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline has a molecular weight of 265.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline is sourced from PubChem (CID 2991404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).