3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylbenzimidazol-2-one

C25H20Cl2N4O2 — CID 23646748

IUPAC3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylbenzimidazol-2-one
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)n(-c1cccc(Cl)c1)c(=O)n2C
InChIInChI=1S/C25H20Cl2N4O2/c1-29-15-28-14-23(29)25(33,16-6-9-18(26)10-7-16)17-8-11-21-22(12-17)31(24(32)30(21)2)20-5-3-4-19(27)13-20/h3-15,33H,1-2H3
InChIKeyHQGCUZWLQSVONB-UHFFFAOYSA-N
MW479.37 g/mol
LogP4.65
Rot. Bonds4

About 3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylbenzimidazol-2-one

3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylbenzimidazol-2-one (PubChem CID 23646748) has the molecular formula C25H20Cl2N4O2 and a molecular weight of 479.37 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylbenzimidazol-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylbenzimidazol-2-one
PubChem CID23646748
Molecular FormulaC25H20Cl2N4O2
Molecular Weight479.37 g/mol
Exact Mass478.10
IUPAC Name3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylbenzimidazol-2-one
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)n(-c1cccc(Cl)c1)c(=O)n2C
InChIInChI=1S/C25H20Cl2N4O2/c1-29-15-28-14-23(29)25(33,16-6-9-18(26)10-7-16)17-8-11-21-22(12-17)31(24(32)30(21)2)20-5-3-4-19(27)13-20/h3-15,33H,1-2H3
InChIKeyHQGCUZWLQSVONB-UHFFFAOYSA-N
XLogP4.65
TPSA64.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.37
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylbenzimidazol-2-one?
The IUPAC name of 3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylbenzimidazol-2-one (CID 23646748) is 3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylbenzimidazol-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylbenzimidazol-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylbenzimidazol-2-one is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)n(-c1cccc(Cl)c1)c(=O)n2C.
What is the InChIKey of 3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylbenzimidazol-2-one?
The InChIKey is HQGCUZWLQSVONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N4O2/c1-29-15-28-14-23(29)25(33,16-6-9-18(26)10-7-16)17-8-11-21-22(12-17)31(24(32)30(21)2)20-5-3-4-19(27)13-20/h3-15,33H,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylbenzimidazol-2-one?
3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylbenzimidazol-2-one has a molecular weight of 479.37 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylbenzimidazol-2-one is sourced from PubChem (CID 23646748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).