3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline

C18H21N3O — CID 82097911

IUPAC3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline
SMILESCCCc1nc2ccccc2n1CCOc1cccc(N)c1
InChIInChI=1S/C18H21N3O/c1-2-6-18-20-16-9-3-4-10-17(16)21(18)11-12-22-15-8-5-7-14(19)13-15/h3-5,7-10,13H,2,6,11-12,19H2,1H3
InChIKeyMAUGAUWHPNBPKF-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.65
Rot. Bonds6

About 3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline

3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline (PubChem CID 82097911) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline
PubChem CID82097911
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline
SMILESCCCc1nc2ccccc2n1CCOc1cccc(N)c1
InChIInChI=1S/C18H21N3O/c1-2-6-18-20-16-9-3-4-10-17(16)21(18)11-12-22-15-8-5-7-14(19)13-15/h3-5,7-10,13H,2,6,11-12,19H2,1H3
InChIKeyMAUGAUWHPNBPKF-UHFFFAOYSA-N
XLogP3.65
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline
CID 82097902
3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline
CID 94757335
3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]aniline
CID 94757330
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
3-[2-(6-ethyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]aniline
CID 82150376
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline
CID 82150383
3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 648297
2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242415
N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974426
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16995712

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline?
The IUPAC name of 3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline (CID 82097911) is 3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline.
What is the SMILES notation for 3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline?
The canonical SMILES for 3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline is CCCc1nc2ccccc2n1CCOc1cccc(N)c1.
What is the InChIKey of 3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline?
The InChIKey is MAUGAUWHPNBPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-6-18-20-16-9-3-4-10-17(16)21(18)11-12-22-15-8-5-7-14(19)13-15/h3-5,7-10,13H,2,6,11-12,19H2,1H3.
What are the key properties of 3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline?
3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline has a molecular weight of 295.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline is sourced from PubChem (CID 82097911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).