4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

C18H17N5S — CID 139005528

IUPAC4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1ccc2nc(C3CCCN3c3ncnc4sccc34)[nH]c2c1
InChIInChI=1S/C18H17N5S/c1-11-4-5-13-14(9-11)22-16(21-13)15-3-2-7-23(15)17-12-6-8-24-18(12)20-10-19-17/h4-6,8-10,15H,2-3,7H2,1H3,(H,21,22)
InChIKeyPEFNTGHJNDVVDV-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.22
Rot. Bonds2

About 4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 139005528) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is 4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID139005528
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1ccc2nc(C3CCCN3c3ncnc4sccc34)[nH]c2c1
InChIInChI=1S/C18H17N5S/c1-11-4-5-13-14(9-11)22-16(21-13)15-3-2-7-23(15)17-12-6-8-24-18(12)20-10-19-17/h4-6,8-10,15H,2-3,7H2,1H3,(H,21,22)
InChIKeyPEFNTGHJNDVVDV-UHFFFAOYSA-N
XLogP4.22
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-ethyl-6-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine
CID 126810476
9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine
CID 125419058
2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole
CID 125419133
[2-methyl-6-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]methanamine
CID 56714765
4-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 95341463
4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 56778089
(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine
CID 62591385
4-[2-(3-chloropropyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390203
4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 7838265
6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole
CID 46992019
6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole
CID 45248260
4-[(5aR,9aS)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepin-1-yl]thieno[2,3-d]pyrimidine
CID 97255565

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (CID 139005528) is 4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is Cc1ccc2nc(C3CCCN3c3ncnc4sccc34)[nH]c2c1.
What is the InChIKey of 4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is PEFNTGHJNDVVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S/c1-11-4-5-13-14(9-11)22-16(21-13)15-3-2-7-23(15)17-12-6-8-24-18(12)20-10-19-17/h4-6,8-10,15H,2-3,7H2,1H3,(H,21,22).
What are the key properties of 4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 335.44 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 139005528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).