6-chloro-3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one

C31H20Cl2N2O2 — CID 164613181

IUPAC6-chloro-3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one
SMILESCc1cc2occ(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccc(Cl)cc3)c(=O)c2cc1Cl
InChIInChI=1S/C31H20Cl2N2O2/c1-19-16-27-24(17-26(19)33)30(36)25(18-37-27)31-34-28(20-8-4-2-5-9-20)29(21-10-6-3-7-11-21)35(31)23-14-12-22(32)13-15-23/h2-18H,1H3
InChIKeyMTVTVTYYWRZNOT-UHFFFAOYSA-N
MW523.42 g/mol
LogP8.59
Rot. Bonds4

About 6-chloro-3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one

6-chloro-3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one (PubChem CID 164613181) has the molecular formula C31H20Cl2N2O2 and a molecular weight of 523.42 g/mol. Its IUPAC name is 6-chloro-3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one.

Molecular Properties

Compound Name6-chloro-3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one
PubChem CID164613181
Molecular FormulaC31H20Cl2N2O2
Molecular Weight523.42 g/mol
Exact Mass522.09
IUPAC Name6-chloro-3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one
SMILESCc1cc2occ(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccc(Cl)cc3)c(=O)c2cc1Cl
InChIInChI=1S/C31H20Cl2N2O2/c1-19-16-27-24(17-26(19)33)30(36)25(18-37-27)31-34-28(20-8-4-2-5-9-20)29(21-10-6-3-7-11-21)35(31)23-14-12-22(32)13-15-23/h2-18H,1H3
InChIKeyMTVTVTYYWRZNOT-UHFFFAOYSA-N
XLogP8.59
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.42
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one?
The IUPAC name of 6-chloro-3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one (CID 164613181) is 6-chloro-3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one.
What is the SMILES notation for 6-chloro-3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one?
The canonical SMILES for 6-chloro-3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one is Cc1cc2occ(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccc(Cl)cc3)c(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one?
The InChIKey is MTVTVTYYWRZNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20Cl2N2O2/c1-19-16-27-24(17-26(19)33)30(36)25(18-37-27)31-34-28(20-8-4-2-5-9-20)29(21-10-6-3-7-11-21)35(31)23-14-12-22(32)13-15-23/h2-18H,1H3.
What are the key properties of 6-chloro-3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one?
6-chloro-3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one has a molecular weight of 523.42 g/mol, XLogP of 8.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one is sourced from PubChem (CID 164613181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).