N-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline

C17H19N3 — CID 6456939

IUPACN-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCCN(Cc1nc2ccccc2n1C)c1ccccc1
InChIInChI=1S/C17H19N3/c1-3-20(14-9-5-4-6-10-14)13-17-18-15-11-7-8-12-16(15)19(17)2/h4-12H,3,13H2,1-2H3
InChIKeyIOBCYLYDLSHIOH-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.60
Rot. Bonds4

About N-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline

N-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (PubChem CID 6456939) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
PubChem CID6456939
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCCN(Cc1nc2ccccc2n1C)c1ccccc1
InChIInChI=1S/C17H19N3/c1-3-20(14-9-5-4-6-10-14)13-17-18-15-11-7-8-12-16(15)19(17)2/h4-12H,3,13H2,1-2H3
InChIKeyIOBCYLYDLSHIOH-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of N-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (CID 6456939) is N-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for N-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for N-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is CCN(Cc1nc2ccccc2n1C)c1ccccc1.
What is the InChIKey of N-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is IOBCYLYDLSHIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-20(14-9-5-4-6-10-14)13-17-18-15-11-7-8-12-16(15)19(17)2/h4-12H,3,13H2,1-2H3.
What are the key properties of N-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
N-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline has a molecular weight of 265.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 6456939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).