1-(2-chloro-1-benzofuran-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

C14H14ClN3O — CID 82704886

IUPAC1-(2-chloro-1-benzofuran-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C14H14ClN3O/c1-18-7-6-17-13(18)9-16-8-11-10-4-2-3-5-12(10)19-14(11)15/h2-7,16H,8-9H2,1H3
InChIKeyYQKWJJQLUKHMEH-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.11
Rot. Bonds4

About 1-(2-chloro-1-benzofuran-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-(2-chloro-1-benzofuran-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 82704886) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(2-chloro-1-benzofuran-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-1-benzofuran-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID82704886
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-(2-chloro-1-benzofuran-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C14H14ClN3O/c1-18-7-6-17-13(18)9-16-8-11-10-4-2-3-5-12(10)19-14(11)15/h2-7,16H,8-9H2,1H3
InChIKeyYQKWJJQLUKHMEH-UHFFFAOYSA-N
XLogP3.11
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 82759810
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694498
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 82764642
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114615968
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylsulfanylethanamine
CID 82705605
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine
CID 82705158
1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 82705338
3-[(2-chloro-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 82705604
1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103738791
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 82704691
1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol
CID 82705341

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1-benzofuran-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-1-benzofuran-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 82704886) is 1-(2-chloro-1-benzofuran-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-1-benzofuran-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-1-benzofuran-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is Cn1ccnc1CNCc1c(Cl)oc2ccccc12.
What is the InChIKey of 1-(2-chloro-1-benzofuran-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is YQKWJJQLUKHMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-18-7-6-17-13(18)9-16-8-11-10-4-2-3-5-12(10)19-14(11)15/h2-7,16H,8-9H2,1H3.
What are the key properties of 1-(2-chloro-1-benzofuran-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-(2-chloro-1-benzofuran-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 275.74 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1-benzofuran-3-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 82704886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).