N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

C21H23N5O3S — CID 131904469

IUPACN-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCc1sc2nc(CCNC(=O)COCc3nc4c(C)cccc4[nH]3)[nH]c(=O)c2c1C
InChIInChI=1S/C21H23N5O3S/c1-11-5-4-6-14-19(11)24-16(23-14)9-29-10-17(27)22-8-7-15-25-20(28)18-12(2)13(3)30-21(18)26-15/h4-6H,7-10H2,1-3H3,(H,22,27)(H,23,24)(H,25,26,28)
InChIKeyNBLLIQMIOQVQLR-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.66
Rot. Bonds7

About N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (PubChem CID 131904469) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
PubChem CID131904469
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC NameN-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCc1sc2nc(CCNC(=O)COCc3nc4c(C)cccc4[nH]3)[nH]c(=O)c2c1C
InChIInChI=1S/C21H23N5O3S/c1-11-5-4-6-14-19(11)24-16(23-14)9-29-10-17(27)22-8-7-15-25-20(28)18-12(2)13(3)30-21(18)26-15/h4-6H,7-10H2,1-3H3,(H,22,27)(H,23,24)(H,25,26,28)
InChIKeyNBLLIQMIOQVQLR-UHFFFAOYSA-N
XLogP2.66
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide 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

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 91766278
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 91793250
methyl N-[3-[4-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)butanoylamino]-2-methylphenyl]carbamate
CID 166231104
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 99992998
N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 118766728
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-[(2,6-dichlorobenzoyl)amino]acetate
CID 71305169
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-hydroxybenzoate
CID 2394285
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-aminoacetate
CID 71305221
2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 118796145
N'-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetyl]-2,3-dimethoxybenzohydrazide
CID 4808796
2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47019420

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The IUPAC name of N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (CID 131904469) is N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.
What is the SMILES notation for N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The canonical SMILES for N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is Cc1sc2nc(CCNC(=O)COCc3nc4c(C)cccc4[nH]3)[nH]c(=O)c2c1C.
What is the InChIKey of N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The InChIKey is NBLLIQMIOQVQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-11-5-4-6-14-19(11)24-16(23-14)9-29-10-17(27)22-8-7-15-25-20(28)18-12(2)13(3)30-21(18)26-15/h4-6H,7-10H2,1-3H3,(H,22,27)(H,23,24)(H,25,26,28).
What are the key properties of N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide has a molecular weight of 425.51 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is sourced from PubChem (CID 131904469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).