N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine

C16H19N3O — CID 61325314

IUPACN-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1c(C(C)NCCn2ccnc2)oc2ccccc12
InChIInChI=1S/C16H19N3O/c1-12-14-5-3-4-6-15(14)20-16(12)13(2)18-8-10-19-9-7-17-11-19/h3-7,9,11,13,18H,8,10H2,1-2H3
InChIKeyFMLFZSVIAPPNLK-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.29
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine

N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 61325314) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID61325314
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1c(C(C)NCCn2ccnc2)oc2ccccc12
InChIInChI=1S/C16H19N3O/c1-12-14-5-3-4-6-15(14)20-16(12)13(2)18-8-10-19-9-7-17-11-19/h3-7,9,11,13,18H,8,10H2,1-2H3
InChIKeyFMLFZSVIAPPNLK-UHFFFAOYSA-N
XLogP3.29
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 80684225
2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43771437
1-(3-methyl-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 61004796
N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 103904996
2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol
CID 61326336
N-methyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 102676059
2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43755050
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine
CID 60669582
N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine
CID 95152537
1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61324694
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63981303

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine (CID 61325314) is N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine is Cc1c(C(C)NCCn2ccnc2)oc2ccccc12.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is FMLFZSVIAPPNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-14-5-3-4-6-15(14)20-16(12)13(2)18-8-10-19-9-7-17-11-19/h3-7,9,11,13,18H,8,10H2,1-2H3.
What are the key properties of N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine?
N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 269.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 61325314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).