6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one

C22H18ClN5OS — CID 11553871

IUPAC6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one
SMILESCN(C)c1nc2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2n1C
InChIInChI=1S/C22H18ClN5OS/c1-26(2)22-25-16-9-8-15(10-18(16)27(22)3)28-12-24-17-11-19(30-20(17)21(28)29)13-4-6-14(23)7-5-13/h4-12H,1-3H3
InChIKeyYMDKGGMAMAEFNG-UHFFFAOYSA-N
MW435.94 g/mol
LogP4.72
Rot. Bonds3

About 6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one

6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 11553871) has the molecular formula C22H18ClN5OS and a molecular weight of 435.94 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one
PubChem CID11553871
Molecular FormulaC22H18ClN5OS
Molecular Weight435.94 g/mol
Exact Mass435.09
IUPAC Name6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one
SMILESCN(C)c1nc2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2n1C
InChIInChI=1S/C22H18ClN5OS/c1-26(2)22-25-16-9-8-15(10-18(16)27(22)3)28-12-24-17-11-19(30-20(17)21(28)29)13-4-6-14(23)7-5-13/h4-12H,1-3H3
InChIKeyYMDKGGMAMAEFNG-UHFFFAOYSA-N
XLogP4.72
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.94
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one (CID 11553871) is 6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one is CN(C)c1nc2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2n1C.
What is the InChIKey of 6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is YMDKGGMAMAEFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5OS/c1-26(2)22-25-16-9-8-15(10-18(16)27(22)3)28-12-24-17-11-19(30-20(17)21(28)29)13-4-6-14(23)7-5-13/h4-12H,1-3H3.
What are the key properties of 6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one?
6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 435.94 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[2-(dimethylamino)-3-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 11553871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).