(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate

C22H19ClN2O3 — CID 158602904

IUPAC(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate
SMILESCCn1cnc2cc(COC(=O)Cc3ccc(-c4ccc(Cl)cc4)o3)ccc21
InChIInChI=1S/C22H19ClN2O3/c1-2-25-14-24-19-11-15(3-9-20(19)25)13-27-22(26)12-18-8-10-21(28-18)16-4-6-17(23)7-5-16/h3-11,14H,2,12-13H2,1H3
InChIKeyHVWASSWVBHTZGE-UHFFFAOYSA-N
MW394.86 g/mol
LogP5.26
Rot. Bonds6

About (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate

(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate (PubChem CID 158602904) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate.

Molecular Properties

Compound Name(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate
PubChem CID158602904
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate
SMILESCCn1cnc2cc(COC(=O)Cc3ccc(-c4ccc(Cl)cc4)o3)ccc21
InChIInChI=1S/C22H19ClN2O3/c1-2-25-14-24-19-11-15(3-9-20(19)25)13-27-22(26)12-18-8-10-21(28-18)16-4-6-17(23)7-5-16/h3-11,14H,2,12-13H2,1H3
InChIKeyHVWASSWVBHTZGE-UHFFFAOYSA-N
XLogP5.26
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.86
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)-2-methylfuran-3-yl]acetate
CID 159296475
(1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate
CID 158481307
(1-ethylbenzimidazol-5-yl)methyl 2-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]acetate
CID 161011785
(1-ethylbenzimidazol-5-yl)methyl N-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 89469592
(1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate
CID 158455948
5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030877
(1-methylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1,4-dimethylpyrazol-5-yl]acetate
CID 158690856
ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate
CID 43025865
1-(1-ethylbenzimidazol-5-yl)-N-methylmethanamine
CID 82490893
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)acetate
CID 16869611
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide
CID 9203744
5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030938

Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate?
The IUPAC name of (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate (CID 158602904) is (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate.
What is the SMILES notation for (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate?
The canonical SMILES for (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate is CCn1cnc2cc(COC(=O)Cc3ccc(-c4ccc(Cl)cc4)o3)ccc21.
What is the InChIKey of (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate?
The InChIKey is HVWASSWVBHTZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-2-25-14-24-19-11-15(3-9-20(19)25)13-27-22(26)12-18-8-10-21(28-18)16-4-6-17(23)7-5-16/h3-11,14H,2,12-13H2,1H3.
What are the key properties of (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate?
(1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate has a molecular weight of 394.86 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzimidazol-5-yl)methyl 2-[5-(4-chlorophenyl)furan-2-yl]acetate is sourced from PubChem (CID 158602904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).