N-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine

C18H21N3O — CID 50958666

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine
SMILESCC(COc1ccccc1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H21N3O/c1-14(13-22-15-7-3-2-4-8-15)19-12-11-18-20-16-9-5-6-10-17(16)21-18/h2-10,14,19H,11-13H2,1H3,(H,20,21)
InChIKeyAYAQUXBLPUHFGB-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.16
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine

N-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine (PubChem CID 50958666) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine
PubChem CID50958666
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine
SMILESCC(COc1ccccc1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H21N3O/c1-14(13-22-15-7-3-2-4-8-15)19-12-11-18-20-16-9-5-6-10-17(16)21-18/h2-10,14,19H,11-13H2,1H3,(H,20,21)
InChIKeyAYAQUXBLPUHFGB-UHFFFAOYSA-N
XLogP3.16
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95197634
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide
CID 42123055
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
CID 103389827
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(dihydroxyamino)phenoxy]acetamide
CID 59264890
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(2-phenoxyethyl)guanidine
CID 111005717
2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 43236517
N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
CID 83961836
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 71910177

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine (CID 50958666) is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine is CC(COc1ccccc1)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine?
The InChIKey is AYAQUXBLPUHFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14(13-22-15-7-3-2-4-8-15)19-12-11-18-20-16-9-5-6-10-17(16)21-18/h2-10,14,19H,11-13H2,1H3,(H,20,21).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine?
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine has a molecular weight of 295.39 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine is sourced from PubChem (CID 50958666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).