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

C17H19N3 — CID 61020284

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
SMILESCCn1c(CNc2ccccc2C)nc2ccccc21
InChIInChI=1S/C17H19N3/c1-3-20-16-11-7-6-10-15(16)19-17(20)12-18-14-9-5-4-8-13(14)2/h4-11,18H,3,12H2,1-2H3
InChIKeyYZWFIKLYRYHCEV-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.98
Rot. Bonds4

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

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline (PubChem CID 61020284) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
PubChem CID61020284
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
SMILESCCn1c(CNc2ccccc2C)nc2ccccc21
InChIInChI=1S/C17H19N3/c1-3-20-16-11-7-6-10-15(16)19-17(20)12-18-14-9-5-4-8-13(14)2/h4-11,18H,3,12H2,1-2H3
InChIKeyYZWFIKLYRYHCEV-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135109990
4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline
CID 61020055
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine
CID 115621638
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115574819
3-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 61020848
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103825866
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 18086685
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine
CID 63842235

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline (CID 61020284) is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline is CCn1c(CNc2ccccc2C)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline?
The InChIKey is YZWFIKLYRYHCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-20-16-11-7-6-10-15(16)19-17(20)12-18-14-9-5-4-8-13(14)2/h4-11,18H,3,12H2,1-2H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline?
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline has a molecular weight of 265.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline is sourced from PubChem (CID 61020284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).