(1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate

C24H25N3O2S — CID 161011785

IUPAC(1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate
SMILESCCc1ccccc1-c1nc(C)c(CC(=O)OCc2ccc3c(c2)ncn3CC)s1
InChIInChI=1S/C24H25N3O2S/c1-4-18-8-6-7-9-19(18)24-26-16(3)22(30-24)13-23(28)29-14-17-10-11-21-20(12-17)25-15-27(21)5-2/h6-12,15H,4-5,13-14H2,1-3H3
InChIKeyTXFGDNDKPWECJX-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.34
Rot. Bonds7

About (1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate

(1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate (PubChem CID 161011785) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is (1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Name(1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate
PubChem CID161011785
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name(1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate
SMILESCCc1ccccc1-c1nc(C)c(CC(=O)OCc2ccc3c(c2)ncn3CC)s1
InChIInChI=1S/C24H25N3O2S/c1-4-18-8-6-7-9-19(18)24-26-16(3)22(30-24)13-23(28)29-14-17-10-11-21-20(12-17)25-15-27(21)5-2/h6-12,15H,4-5,13-14H2,1-3H3
InChIKeyTXFGDNDKPWECJX-UHFFFAOYSA-N
XLogP5.34
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethylbenzimidazol-5-yl)methyl N-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 89469592
3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl 2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetate
CID 159764789
(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate
CID 159296475
(1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate
CID 158455948
1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl 2-[4-ethyl-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetate
CID 161160157
(1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate
CID 158481307
(1-methylbenzotriazol-5-yl)methyl 2-(2-methylphenyl)acetate
CID 71874807
(1-methylbenzimidazol-5-yl)methyl N-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89469503
(1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate
CID 158918243
(1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 89469843
1-[(2-ethylphenyl)methyl]benzimidazol-5-amine
CID 64694587
2-(1-ethylbenzimidazol-5-yl)-N-methylethanamine
CID 82491787

Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate?
The IUPAC name of (1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate (CID 161011785) is (1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for (1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate?
The canonical SMILES for (1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate is CCc1ccccc1-c1nc(C)c(CC(=O)OCc2ccc3c(c2)ncn3CC)s1.
What is the InChIKey of (1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate?
The InChIKey is TXFGDNDKPWECJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-4-18-8-6-7-9-19(18)24-26-16(3)22(30-24)13-23(28)29-14-17-10-11-21-20(12-17)25-15-27(21)5-2/h6-12,15H,4-5,13-14H2,1-3H3.
What are the key properties of (1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate?
(1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate has a molecular weight of 419.55 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 161011785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).