N-(2-phenoxyethyl)-1H-benzimidazol-2-amine

C15H15N3O — CID 55023552

IUPACN-(2-phenoxyethyl)-1H-benzimidazol-2-amine
SMILESc1ccc(OCCNc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H15N3O/c1-2-6-12(7-3-1)19-11-10-16-15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H2,16,17,18)
InChIKeySGVSJHOBNDGYNI-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.05
Rot. Bonds5

About N-(2-phenoxyethyl)-1H-benzimidazol-2-amine

N-(2-phenoxyethyl)-1H-benzimidazol-2-amine (PubChem CID 55023552) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-1H-benzimidazol-2-amine
PubChem CID55023552
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-(2-phenoxyethyl)-1H-benzimidazol-2-amine
SMILESc1ccc(OCCNc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H15N3O/c1-2-6-12(7-3-1)19-11-10-16-15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H2,16,17,18)
InChIKeySGVSJHOBNDGYNI-UHFFFAOYSA-N
XLogP3.05
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethoxyphenoxy)ethyl]-1H-benzimidazol-2-amine
CID 133410971
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol
CID 178081091
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-benzimidazol-2-amine
CID 113341943
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 146123718
methyl (2S)-3-[4-[2-(1H-benzimidazol-2-ylamino)ethoxy]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 59665468

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-phenoxyethyl)-1H-benzimidazol-2-amine (CID 55023552) is N-(2-phenoxyethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-phenoxyethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-phenoxyethyl)-1H-benzimidazol-2-amine is c1ccc(OCCNc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(2-phenoxyethyl)-1H-benzimidazol-2-amine?
The InChIKey is SGVSJHOBNDGYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-6-12(7-3-1)19-11-10-16-15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H2,16,17,18).
What are the key properties of N-(2-phenoxyethyl)-1H-benzimidazol-2-amine?
N-(2-phenoxyethyl)-1H-benzimidazol-2-amine has a molecular weight of 253.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 55023552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).