N-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C17H19N3O — CID 115466482

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(NC1CCCc2occc21)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H19N3O/c1-11(17-19-14-5-2-3-6-15(14)20-17)18-13-7-4-8-16-12(13)9-10-21-16/h2-3,5-6,9-11,13,18H,4,7-8H2,1H3,(H,19,20)
InChIKeyWRGWZEYWZAKWSN-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.88
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 115466482) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID115466482
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(NC1CCCc2occc21)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H19N3O/c1-11(17-19-14-5-2-3-6-15(14)20-17)18-13-7-4-8-16-12(13)9-10-21-16/h2-3,5-6,9-11,13,18H,4,7-8H2,1H3,(H,19,20)
InChIKeyWRGWZEYWZAKWSN-UHFFFAOYSA-N
XLogP3.88
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208303
N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
CID 53410318
N-[(1S)-1-(4-methylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466604
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466137
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylcyclopentan-1-amine
CID 65046013
N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836434
N-[(1S)-1-(3-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466614
N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43173501
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine
CID 60664261
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43771911
1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62673724

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 115466482) is N-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CC(NC1CCCc2occc21)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is WRGWZEYWZAKWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11(17-19-14-5-2-3-6-15(14)20-17)18-13-7-4-8-16-12(13)9-10-21-16/h2-3,5-6,9-11,13,18H,4,7-8H2,1H3,(H,19,20).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 281.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115466482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).