1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole

C14H14N2O — CID 151011265

IUPAC1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole
SMILESCC1Oc2ccccc2C=C1Cn1ccnc1
InChIInChI=1S/C14H14N2O/c1-11-13(9-16-7-6-15-10-16)8-12-4-2-3-5-14(12)17-11/h2-8,10-11H,9H2,1H3
InChIKeyLWDMWMZMTLZKHT-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.75
Rot. Bonds2

About 1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole

1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole (PubChem CID 151011265) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole
PubChem CID151011265
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole
SMILESCC1Oc2ccccc2C=C1Cn1ccnc1
InChIInChI=1S/C14H14N2O/c1-11-13(9-16-7-6-15-10-16)8-12-4-2-3-5-14(12)17-11/h2-8,10-11H,9H2,1H3
InChIKeyLWDMWMZMTLZKHT-UHFFFAOYSA-N
XLogP2.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-(imidazol-1-ylmethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
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CID 94182707
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N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole?
The IUPAC name of 1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole (CID 151011265) is 1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole.
What is the SMILES notation for 1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole?
The canonical SMILES for 1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole is CC1Oc2ccccc2C=C1Cn1ccnc1.
What is the InChIKey of 1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole?
The InChIKey is LWDMWMZMTLZKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11-13(9-16-7-6-15-10-16)8-12-4-2-3-5-14(12)17-11/h2-8,10-11H,9H2,1H3.
What are the key properties of 1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole?
1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole has a molecular weight of 226.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole is sourced from PubChem (CID 151011265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).