(1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate

C23H23ClN4O3 — CID 158481307

IUPAC(1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate
SMILESCCn1cnc2cc(COC(=O)Cc3cc(-c4ccc(Cl)cc4OC)nn3C)ccc21
InChIInChI=1S/C23H23ClN4O3/c1-4-28-14-25-20-9-15(5-8-21(20)28)13-31-23(29)12-17-11-19(26-27(17)2)18-7-6-16(24)10-22(18)30-3/h5-11,14H,4,12-13H2,1-3H3
InChIKeyHHNYJOSDWJWBFS-UHFFFAOYSA-N
MW438.92 g/mol
LogP4.40
Rot. Bonds7

About (1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate

(1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate (PubChem CID 158481307) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is (1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate.

Molecular Properties

Compound Name(1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate
PubChem CID158481307
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name(1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate
SMILESCCn1cnc2cc(COC(=O)Cc3cc(-c4ccc(Cl)cc4OC)nn3C)ccc21
InChIInChI=1S/C23H23ClN4O3/c1-4-28-14-25-20-9-15(5-8-21(20)28)13-31-23(29)12-17-11-19(26-27(17)2)18-7-6-16(24)10-22(18)30-3/h5-11,14H,4,12-13H2,1-3H3
InChIKeyHHNYJOSDWJWBFS-UHFFFAOYSA-N
XLogP4.40
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate
CID 158455948
(2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate
CID 157263641
(1-methylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1,4-dimethylpyrazol-5-yl]acetate
CID 158690856
[3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate
CID 89459734
(1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate
CID 159407168
(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate
CID 158602904
(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate
CID 159296475
[3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate
CID 89459726
(1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate
CID 158918243
[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1,3-benzoxazol-6-yl)carbamate
CID 89459716
(1-methylbenzimidazol-5-yl)methyl N-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate
CID 89460035
(1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89469506

Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate?
The IUPAC name of (1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate (CID 158481307) is (1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate.
What is the SMILES notation for (1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate?
The canonical SMILES for (1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate is CCn1cnc2cc(COC(=O)Cc3cc(-c4ccc(Cl)cc4OC)nn3C)ccc21.
What is the InChIKey of (1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate?
The InChIKey is HHNYJOSDWJWBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-4-28-14-25-20-9-15(5-8-21(20)28)13-31-23(29)12-17-11-19(26-27(17)2)18-7-6-16(24)10-22(18)30-3/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of (1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate?
(1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate has a molecular weight of 438.92 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate is sourced from PubChem (CID 158481307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).