5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C18H17N5O2S — CID 91822683

IUPAC5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCc2nc3ccccc3n2C)sc2nc[nH]c(=O)c12
InChIInChI=1S/C18H17N5O2S/c1-10-14-16(24)20-9-21-18(14)26-15(10)17(25)19-8-7-13-22-11-5-3-4-6-12(11)23(13)2/h3-6,9H,7-8H2,1-2H3,(H,19,25)(H,20,21,24)
InChIKeyOUQKUCFVEZMRHM-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.15
Rot. Bonds4

About 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 91822683) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID91822683
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCc2nc3ccccc3n2C)sc2nc[nH]c(=O)c12
InChIInChI=1S/C18H17N5O2S/c1-10-14-16(24)20-9-21-18(14)26-15(10)17(25)19-8-7-13-22-11-5-3-4-6-12(11)23(13)2/h3-6,9H,7-8H2,1-2H3,(H,19,25)(H,20,21,24)
InChIKeyOUQKUCFVEZMRHM-UHFFFAOYSA-N
XLogP2.15
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-(2-indol-1-ylethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 71706303
2-(ethylamino)-4-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 71852564
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 91822194
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 75490455
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 126433174
3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 56790573
N-(3-hydroxy-4-methoxybutyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 106242685
5-methyl-N-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide;hydrochloride
CID 126476924
3,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 51231452
methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate
CID 71279102
N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 46974338
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 91822683) is 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCc2nc3ccccc3n2C)sc2nc[nH]c(=O)c12.
What is the InChIKey of 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is OUQKUCFVEZMRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-10-14-16(24)20-9-21-18(14)26-15(10)17(25)19-8-7-13-22-11-5-3-4-6-12(11)23(13)2/h3-6,9H,7-8H2,1-2H3,(H,19,25)(H,20,21,24).
What are the key properties of 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 91822683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).