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

C18H17N5S — CID 24590020

IUPAC4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESc1ccc2[nH]c(C3CCN(c4ncnc5ccsc45)CC3)nc2c1
InChIInChI=1S/C18H17N5S/c1-2-4-14-13(3-1)21-17(22-14)12-5-8-23(9-6-12)18-16-15(7-10-24-16)19-11-20-18/h1-4,7,10-12H,5-6,8-9H2,(H,21,22)
InChIKeyAYFOGARVBOLIBN-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.95
Rot. Bonds2

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

4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 24590020) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID24590020
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESc1ccc2[nH]c(C3CCN(c4ncnc5ccsc45)CC3)nc2c1
InChIInChI=1S/C18H17N5S/c1-2-4-14-13(3-1)21-17(22-14)12-5-8-23(9-6-12)18-16-15(7-10-24-16)19-11-20-18/h1-4,7,10-12H,5-6,8-9H2,(H,21,22)
InChIKeyAYFOGARVBOLIBN-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 86773022
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde
CID 87398851
ethyl 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 24590018
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 72867565
4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 136534406
4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline
CID 24606917
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole
CID 127323044
4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[3,2-d]pyrimidine
CID 35783787
4-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[3,2-d]pyrimidine
CID 35783789
N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 62593365
2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole
CID 70759993

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine (CID 24590020) is 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine is c1ccc2[nH]c(C3CCN(c4ncnc5ccsc45)CC3)nc2c1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is AYFOGARVBOLIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S/c1-2-4-14-13(3-1)21-17(22-14)12-5-8-23(9-6-12)18-16-15(7-10-24-16)19-11-20-18/h1-4,7,10-12H,5-6,8-9H2,(H,21,22).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 335.44 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 24590020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).