N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine

C15H17N3O — CID 28833124

IUPACN-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
SMILESc1ccc2oc(CNCCCn3ccnc3)cc2c1
InChIInChI=1S/C15H17N3O/c1-2-5-15-13(4-1)10-14(19-15)11-16-6-3-8-18-9-7-17-12-18/h1-2,4-5,7,9-10,12,16H,3,6,8,11H2
InChIKeyFOJWJJWRBXCGPH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.81
Rot. Bonds6

About N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine

N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine (PubChem CID 28833124) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
PubChem CID28833124
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
SMILESc1ccc2oc(CNCCCn3ccnc3)cc2c1
InChIInChI=1S/C15H17N3O/c1-2-5-15-13(4-1)10-14(19-15)11-16-6-3-8-18-9-7-17-12-18/h1-2,4-5,7,9-10,12,16H,3,6,8,11H2
InChIKeyFOJWJJWRBXCGPH-UHFFFAOYSA-N
XLogP2.81
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294
3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 17156318
[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol
CID 64580128
N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
CID 61067392
4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine
CID 61071099
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;oxalic acid
CID 17053071
3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 60657424
N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 28618146
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156371
N-(1-benzofuran-2-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 55201328
4-imidazol-1-yl-N-(isoquinolin-4-ylmethyl)butan-1-amine
CID 115748322

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine (CID 28833124) is N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine is c1ccc2oc(CNCCCn3ccnc3)cc2c1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine?
The InChIKey is FOJWJJWRBXCGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-5-15-13(4-1)10-14(19-15)11-16-6-3-8-18-9-7-17-12-18/h1-2,4-5,7,9-10,12,16H,3,6,8,11H2.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine?
N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 28833124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).