N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine

C15H17N3O — CID 63977090

IUPACN-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)c1nccn1C
InChIInChI=1S/C15H17N3O/c1-3-16-14(15-17-8-9-18(15)2)13-10-11-6-4-5-7-12(11)19-13/h4-10,14,16H,3H2,1-2H3
InChIKeyQJINPPITRRCSJB-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.87
Rot. Bonds4

About N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine

N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 63977090) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID63977090
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)c1nccn1C
InChIInChI=1S/C15H17N3O/c1-3-16-14(15-17-8-9-18(15)2)13-10-11-6-4-5-7-12(11)19-13/h4-10,14,16H,3H2,1-2H3
InChIKeyQJINPPITRRCSJB-UHFFFAOYSA-N
XLogP2.87
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105218384
N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 61315945
N-[1-benzofuran-2-yl-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 114728202
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315383
N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 106855833
N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine
CID 114730268
N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 105044180
N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 114022999
N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 114727718
N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114729081
N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 63418365

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine (CID 63977090) is N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine is CCNC(c1cc2ccccc2o1)c1nccn1C.
What is the InChIKey of N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is QJINPPITRRCSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-16-14(15-17-8-9-18(15)2)13-10-11-6-4-5-7-12(11)19-13/h4-10,14,16H,3H2,1-2H3.
What are the key properties of N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine?
N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 255.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 63977090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).