N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine

C21H17N5S — CID 118331920

IUPACN-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2ccsc2n1
InChIInChI=1S/C21H17N5S/c1-14-23-17-9-5-6-10-18(17)26(14)21-24-19(16-11-12-27-20(16)25-21)22-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,22,24,25)
InChIKeyPJONQAUIBNWNGJ-UHFFFAOYSA-N
MW371.47 g/mol
LogP4.95
Rot. Bonds4

About N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine

N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 118331920) has the molecular formula C21H17N5S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID118331920
Molecular FormulaC21H17N5S
Molecular Weight371.47 g/mol
Exact Mass371.12
IUPAC NameN-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2ccsc2n1
InChIInChI=1S/C21H17N5S/c1-14-23-17-9-5-6-10-18(17)26(14)21-24-19(16-11-12-27-20(16)25-21)22-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,22,24,25)
InChIKeyPJONQAUIBNWNGJ-UHFFFAOYSA-N
XLogP4.95
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine (CID 118331920) is N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2ccsc2n1.
What is the InChIKey of N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PJONQAUIBNWNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5S/c1-14-23-17-9-5-6-10-18(17)26(14)21-24-19(16-11-12-27-20(16)25-21)22-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,22,24,25).
What are the key properties of N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 371.47 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118331920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).