1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole

C14H14N4 — CID 15194034

IUPAC1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole
SMILESc1ccc(Cn2ccnc2)c(Cn2ccnc2)c1
InChIInChI=1S/C14H14N4/c1-2-4-14(10-18-8-6-16-12-18)13(3-1)9-17-7-5-15-11-17/h1-8,11-12H,9-10H2
InChIKeyYYNHSXPYGJETNI-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.18
Rot. Bonds4

About 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole

1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole (PubChem CID 15194034) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole
PubChem CID15194034
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole
SMILESc1ccc(Cn2ccnc2)c(Cn2ccnc2)c1
InChIInChI=1S/C14H14N4/c1-2-4-14(10-18-8-6-16-12-18)13(3-1)9-17-7-5-15-11-17/h1-8,11-12H,9-10H2
InChIKeyYYNHSXPYGJETNI-UHFFFAOYSA-N
XLogP2.18
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole?
The IUPAC name of 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole (CID 15194034) is 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole.
What is the SMILES notation for 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole?
The canonical SMILES for 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole is c1ccc(Cn2ccnc2)c(Cn2ccnc2)c1.
What is the InChIKey of 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole?
The InChIKey is YYNHSXPYGJETNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-4-14(10-18-8-6-16-12-18)13(3-1)9-17-7-5-15-11-17/h1-8,11-12H,9-10H2.
What are the key properties of 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole?
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole has a molecular weight of 238.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole is sourced from PubChem (CID 15194034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).