1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen

C11H20N2 — CID 167543192

IUPAC1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
SMILESCc1ccc(Cn2ccnc2)cc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C11H12N2.4H2/c1-10-2-4-11(5-3-10)8-13-7-6-12-9-13;;;;/h2-7,9H,8H2,1H3;4*1H
InChIKeyBLPMLOGVPYTXBD-UHFFFAOYSA-N
MW180.30 g/mol
LogP3.22
Rot. Bonds2

About 1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen

1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen (PubChem CID 167543192) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
PubChem CID167543192
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
SMILESCc1ccc(Cn2ccnc2)cc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C11H12N2.4H2/c1-10-2-4-11(5-3-10)8-13-7-6-12-9-13;;;;/h2-7,9H,8H2,1H3;4*1H
InChIKeyBLPMLOGVPYTXBD-UHFFFAOYSA-N
XLogP3.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(imidazol-1-ylmethyl)phenyl]methanimine
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5-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2,3-triol
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4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94025465
1-benzylimidazole;chloro hypochlorite;selane
CID 175250503
N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine
CID 105348525
4-(imidazol-1-ylmethyl)benzoate
CID 42555847
4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole
CID 141054781
1-[(4-methylphenoxy)methyl]imidazole
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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen?
The IUPAC name of 1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen (CID 167543192) is 1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen?
The canonical SMILES for 1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen is Cc1ccc(Cn2ccnc2)cc1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen?
The InChIKey is BLPMLOGVPYTXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.4H2/c1-10-2-4-11(5-3-10)8-13-7-6-12-9-13;;;;/h2-7,9H,8H2,1H3;4*1H.
What are the key properties of 1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen?
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen has a molecular weight of 180.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen is sourced from PubChem (CID 167543192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).