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

C15H18N4 — CID 142579803

IUPAC1-[[2-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]methyl]imidazole
SMILESCN1C=CN(Cc2ccccc2Cn2ccnc2)C1
InChIInChI=1S/C15H18N4/c1-17-8-9-19(13-17)11-15-5-3-2-4-14(15)10-18-7-6-16-12-18/h2-9,12H,10-11,13H2,1H3
InChIKeyBAWQNYHXEZBTGE-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.11
Rot. Bonds4

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

1-[[2-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]methyl]imidazole (PubChem CID 142579803) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-[[2-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]methyl]imidazole
PubChem CID142579803
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1-[[2-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]methyl]imidazole
SMILESCN1C=CN(Cc2ccccc2Cn2ccnc2)C1
InChIInChI=1S/C15H18N4/c1-17-8-9-19(13-17)11-15-5-3-2-4-14(15)10-18-7-6-16-12-18/h2-9,12H,10-11,13H2,1H3
InChIKeyBAWQNYHXEZBTGE-UHFFFAOYSA-N
XLogP2.11
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 113314786
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CID 120969350
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
3-(imidazol-1-ylmethyl)benzene-1,2-diol
CID 11159799
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CID 159097739
1-[(1-methylnaphthalen-2-yl)methyl]imidazole
CID 172812085
4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 120564401
ethane;4-(imidazol-1-ylmethyl)-2-methyl-1H-isoquinoline
CID 90989031
[2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone
CID 16747937
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CID 119838755

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]methyl]imidazole?
The IUPAC name of 1-[[2-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]methyl]imidazole (CID 142579803) is 1-[[2-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]methyl]imidazole.
What is the SMILES notation for 1-[[2-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]methyl]imidazole?
The canonical SMILES for 1-[[2-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]methyl]imidazole is CN1C=CN(Cc2ccccc2Cn2ccnc2)C1.
What is the InChIKey of 1-[[2-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]methyl]imidazole?
The InChIKey is BAWQNYHXEZBTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-17-8-9-19(13-17)11-15-5-3-2-4-14(15)10-18-7-6-16-12-18/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 1-[[2-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]methyl]imidazole?
1-[[2-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]methyl]imidazole has a molecular weight of 254.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]methyl]imidazole is sourced from PubChem (CID 142579803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).