3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine

C20H25N3O — CID 83976218

IUPAC3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2nc3ccccc3n2CC)cc1
InChIInChI=1S/C20H25N3O/c1-3-23-19-8-6-5-7-18(19)22-20(23)16(14-21)13-15-9-11-17(12-10-15)24-4-2/h5-12,16H,3-4,13-14,21H2,1-2H3
InChIKeyHRURDVVGKZJUAV-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.74
Rot. Bonds7

About 3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine

3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine (PubChem CID 83976218) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine
PubChem CID83976218
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2nc3ccccc3n2CC)cc1
InChIInChI=1S/C20H25N3O/c1-3-23-19-8-6-5-7-18(19)22-20(23)16(14-21)13-15-9-11-17(12-10-15)24-4-2/h5-12,16H,3-4,13-14,21H2,1-2H3
InChIKeyHRURDVVGKZJUAV-UHFFFAOYSA-N
XLogP3.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine
CID 83976225
2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976202
3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83976138
4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol
CID 83976122
[(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane
CID 89375402
3-(4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 112509068
2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 83976139
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline
CID 83976113
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole
CID 23963358
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995352

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine (CID 83976218) is 3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine is CCOc1ccc(CC(CN)c2nc3ccccc3n2CC)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is HRURDVVGKZJUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-23-19-8-6-5-7-18(19)22-20(23)16(14-21)13-15-9-11-17(12-10-15)24-4-2/h5-12,16H,3-4,13-14,21H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine?
3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 323.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 83976218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).