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

C15H17N3O — CID 55072986

IUPACN-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine
SMILESCNCc1c(Cn2ccnc2C)oc2ccccc12
InChIInChI=1S/C15H17N3O/c1-11-17-7-8-18(11)10-15-13(9-16-2)12-5-3-4-6-14(12)19-15/h3-8,16H,9-10H2,1-2H3
InChIKeyINRRPVFWRMFIHX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.71
Rot. Bonds4

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

N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine (PubChem CID 55072986) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine
PubChem CID55072986
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine
SMILESCNCc1c(Cn2ccnc2C)oc2ccccc12
InChIInChI=1S/C15H17N3O/c1-11-17-7-8-18(11)10-15-13(9-16-2)12-5-3-4-6-14(12)19-15/h3-8,16H,9-10H2,1-2H3
InChIKeyINRRPVFWRMFIHX-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62446848
1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
CID 62442757
1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62447902
3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63573735
N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895
1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 62446991
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111603396
N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62437372
1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 83219900
1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62438605
N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62974116

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine (CID 55072986) is N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine is CNCc1c(Cn2ccnc2C)oc2ccccc12.
What is the InChIKey of N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine?
The InChIKey is INRRPVFWRMFIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-17-7-8-18(11)10-15-13(9-16-2)12-5-3-4-6-14(12)19-15/h3-8,16H,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine?
N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine has a molecular weight of 255.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 55072986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).