[4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone

C20H14N4O2 — CID 59566547

IUPAC[4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(C(=O)n3ccnc3)cc2)cc1)n1ccnc1
InChIInChI=1S/C20H14N4O2/c25-19(23-11-9-21-13-23)17-5-1-15(2-6-17)16-3-7-18(8-4-16)20(26)24-12-10-22-14-24/h1-14H
InChIKeyMFKXKIZGAKYKPO-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.12
Rot. Bonds3

About [4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone

[4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone (PubChem CID 59566547) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is [4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone
PubChem CID59566547
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name[4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(C(=O)n3ccnc3)cc2)cc1)n1ccnc1
InChIInChI=1S/C20H14N4O2/c25-19(23-11-9-21-13-23)17-5-1-15(2-6-17)16-3-7-18(8-4-16)20(26)24-12-10-22-14-24/h1-14H
InChIKeyMFKXKIZGAKYKPO-UHFFFAOYSA-N
XLogP3.12
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

hydron;imidazol-1-yl(phenyl)methanone
CID 131844425
imidazol-1-yl-(4-pyridin-2-ylphenyl)methanone
CID 110464843
imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone
CID 15951830
(4-ethenylphenyl)-imidazol-1-ylmethanone
CID 140908417
2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde
CID 139783535
imidazol-1-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 175068072
1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 5160516
(5-bromo-3-pyridinyl)-imidazol-1-ylmethanone
CID 110465025
imidazol-1-yl-(2-methylpyrazol-3-yl)methanone
CID 95927860
di(imidazol-1-yl)methanone;bis([4-(imidazole-1-carbonyl)phenyl] 2-methylprop-2-enoate);4-(2-methylprop-2-enoyloxy)benzoic acid
CID 158774523
imidazol-1-yl(1H-imidazol-5-yl)methanone
CID 12766091
imidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 59710971

Frequently Asked Questions

What is the IUPAC name of [4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone?
The IUPAC name of [4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone (CID 59566547) is [4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone.
What is the SMILES notation for [4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone?
The canonical SMILES for [4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone is O=C(c1ccc(-c2ccc(C(=O)n3ccnc3)cc2)cc1)n1ccnc1.
What is the InChIKey of [4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone?
The InChIKey is MFKXKIZGAKYKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-19(23-11-9-21-13-23)17-5-1-15(2-6-17)16-3-7-18(8-4-16)20(26)24-12-10-22-14-24/h1-14H.
What are the key properties of [4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone?
[4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone has a molecular weight of 342.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone is sourced from PubChem (CID 59566547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).