3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline

C17H19N3 — CID 115339576

IUPAC3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline
SMILESCc1ccc2c(c1)nc(CCc1cccc(N)c1)n2C
InChIInChI=1S/C17H19N3/c1-12-6-8-16-15(10-12)19-17(20(16)2)9-7-13-4-3-5-14(18)11-13/h3-6,8,10-11H,7,9,18H2,1-2H3
InChIKeyZAPHDVLCEIEZIH-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.25
Rot. Bonds3

About 3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline

3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline (PubChem CID 115339576) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline
PubChem CID115339576
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline
SMILESCc1ccc2c(c1)nc(CCc1cccc(N)c1)n2C
InChIInChI=1S/C17H19N3/c1-12-6-8-16-15(10-12)19-17(20(16)2)9-7-13-4-3-5-14(18)11-13/h3-6,8,10-11H,7,9,18H2,1-2H3
InChIKeyZAPHDVLCEIEZIH-UHFFFAOYSA-N
XLogP3.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
CID 115339631
2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol
CID 82333350
3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline
CID 115339584
1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
CID 43662152
2-butyl-1-methylbenzimidazol-5-amine
CID 58382812
1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline
CID 82058656
3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline
CID 60835526
2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972066
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825646
3-(1-butyl-5-methylbenzimidazol-2-yl)aniline
CID 82333006

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline?
The IUPAC name of 3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline (CID 115339576) is 3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for 3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline?
The canonical SMILES for 3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline is Cc1ccc2c(c1)nc(CCc1cccc(N)c1)n2C.
What is the InChIKey of 3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline?
The InChIKey is ZAPHDVLCEIEZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-6-8-16-15(10-12)19-17(20(16)2)9-7-13-4-3-5-14(18)11-13/h3-6,8,10-11H,7,9,18H2,1-2H3.
What are the key properties of 3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline?
3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline has a molecular weight of 265.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 115339576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).