4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide

C21H20N4O2S — CID 158900743

IUPAC4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESCOc1cc(C)c(C(N)=O)cc1Cc1nc(-c2ccc3c(c2)ncn3C)cs1
InChIInChI=1S/C21H20N4O2S/c1-12-6-19(27-3)14(7-15(12)21(22)26)9-20-24-17(10-28-20)13-4-5-18-16(8-13)23-11-25(18)2/h4-8,10-11H,9H2,1-3H3,(H2,22,26)
InChIKeyJFKIHXSNJKSLID-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.70
Rot. Bonds5

About 4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide

4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 158900743) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID158900743
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESCOc1cc(C)c(C(N)=O)cc1Cc1nc(-c2ccc3c(c2)ncn3C)cs1
InChIInChI=1S/C21H20N4O2S/c1-12-6-19(27-3)14(7-15(12)21(22)26)9-20-24-17(10-28-20)13-4-5-18-16(8-13)23-11-25(18)2/h4-8,10-11H,9H2,1-3H3,(H2,22,26)
InChIKeyJFKIHXSNJKSLID-UHFFFAOYSA-N
XLogP3.70
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole
CID 116970087
1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone
CID 116867483
4-methoxy-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 160695214
3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide
CID 87941730
3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide
CID 159105325
3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide
CID 152878110
4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid
CID 116894060
1-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966426
[2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol
CID 116889071
4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263481
2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 82118916
2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 9343710

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of 4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide (CID 158900743) is 4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide is COc1cc(C)c(C(N)=O)cc1Cc1nc(-c2ccc3c(c2)ncn3C)cs1.
What is the InChIKey of 4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is JFKIHXSNJKSLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-12-6-19(27-3)14(7-15(12)21(22)26)9-20-24-17(10-28-20)13-4-5-18-16(8-13)23-11-25(18)2/h4-8,10-11H,9H2,1-3H3,(H2,22,26).
What are the key properties of 4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide?
4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 392.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 158900743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).