1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine

C17H19N3O — CID 60913950

IUPAC1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine
SMILESCc1ccccc1CNC(c1ccco1)c1nccn1C
InChIInChI=1S/C17H19N3O/c1-13-6-3-4-7-14(13)12-19-16(15-8-5-11-21-15)17-18-9-10-20(17)2/h3-11,16,19H,12H2,1-2H3
InChIKeyDQMFSHRHRAVRRP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.20
Rot. Bonds5

About 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine

1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine (PubChem CID 60913950) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine
PubChem CID60913950
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine
SMILESCc1ccccc1CNC(c1ccco1)c1nccn1C
InChIInChI=1S/C17H19N3O/c1-13-6-3-4-7-14(13)12-19-16(15-8-5-11-21-15)17-18-9-10-20(17)2/h3-11,16,19H,12H2,1-2H3
InChIKeyDQMFSHRHRAVRRP-UHFFFAOYSA-N
XLogP3.20
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284438
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61044445
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine
CID 106302264
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 43754710
(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 94189098
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 54931888
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626
[1-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115454330
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020764
N'-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43758895

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine (CID 60913950) is 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine is Cc1ccccc1CNC(c1ccco1)c1nccn1C.
What is the InChIKey of 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine?
The InChIKey is DQMFSHRHRAVRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-6-3-4-7-14(13)12-19-16(15-8-5-11-21-15)17-18-9-10-20(17)2/h3-11,16,19H,12H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine?
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine is sourced from PubChem (CID 60913950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).