4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole

C14H14N4 — CID 141054781

IUPAC4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole
SMILESCc1ccc(-n2cnc(Cn3ccnc3)c2)cc1
InChIInChI=1S/C14H14N4/c1-12-2-4-14(5-3-12)18-9-13(16-11-18)8-17-7-6-15-10-17/h2-7,9-11H,8H2,1H3
InChIKeyUJMBQWVXDXBTLK-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.43
Rot. Bonds3

About 4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole

4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole (PubChem CID 141054781) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole
PubChem CID141054781
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole
SMILESCc1ccc(-n2cnc(Cn3ccnc3)c2)cc1
InChIInChI=1S/C14H14N4/c1-12-2-4-14(5-3-12)18-9-13(16-11-18)8-17-7-6-15-10-17/h2-7,9-11H,8H2,1H3
InChIKeyUJMBQWVXDXBTLK-UHFFFAOYSA-N
XLogP2.43
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(imidazol-1-ylmethyl)-1-(4-nitrophenyl)imidazole
CID 141054735
1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole
CID 141054852
4-(imidazol-1-ylmethyl)-1-(3-propan-2-ylphenyl)imidazole
CID 23445128
1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride
CID 23445038
1-[3-(1,1-difluoroethyl)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride
CID 23445096
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
4-bromo-1-(4-methylphenyl)imidazole
CID 66520738
1-[(4-methylphenoxy)methyl]imidazole
CID 15555875
5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one
CID 115114513
3-(imidazol-1-ylmethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 58337071
1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole
CID 53322953
1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole
CID 70553530

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole (CID 141054781) is 4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole is Cc1ccc(-n2cnc(Cn3ccnc3)c2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole?
The InChIKey is UJMBQWVXDXBTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-12-2-4-14(5-3-12)18-9-13(16-11-18)8-17-7-6-15-10-17/h2-7,9-11H,8H2,1H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole?
4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole has a molecular weight of 238.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole is sourced from PubChem (CID 141054781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).