4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid

C19H17N5O2S — CID 70714870

IUPAC4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cnc3ccccc32)CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C19H17N5O2S/c25-18(26)19(24-12-22-13-3-1-2-4-15(13)24)6-8-23(9-7-19)17-16-14(5-10-27-16)20-11-21-17/h1-5,10-12H,6-9H2,(H,25,26)
InChIKeyYXFPALMMQBKDNR-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.12
Rot. Bonds3

About 4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid

4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid (PubChem CID 70714870) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid
PubChem CID70714870
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cnc3ccccc32)CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C19H17N5O2S/c25-18(26)19(24-12-22-13-3-1-2-4-15(13)24)6-8-23(9-7-19)17-16-14(5-10-27-16)20-11-21-17/h1-5,10-12H,6-9H2,(H,25,26)
InChIKeyYXFPALMMQBKDNR-UHFFFAOYSA-N
XLogP3.12
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(benzimidazol-1-yl)-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid
CID 56907712
4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
CID 56894969
3-ethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63147377
4-(benzimidazol-1-yl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid
CID 70772086
4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 56901275
2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one
CID 136536885
4-(benzimidazol-1-yl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 56918210
4-(benzimidazol-1-yl)-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxylic acid
CID 70760784
4-(oxan-2-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid
CID 56872373
1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
1-adamantyl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 51301531
6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid (CID 70714870) is 4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid is O=C(O)C1(n2cnc3ccccc32)CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of 4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid?
The InChIKey is YXFPALMMQBKDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c25-18(26)19(24-12-22-13-3-1-2-4-15(13)24)6-8-23(9-7-19)17-16-14(5-10-27-16)20-11-21-17/h1-5,10-12H,6-9H2,(H,25,26).
What are the key properties of 4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid?
4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid has a molecular weight of 379.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 70714870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).