3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide

C20H22ClN3O3 — CID 26444068

IUPAC3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)NCCn2c(C)nc3ccccc32)cc1OC
InChIInChI=1S/C20H22ClN3O3/c1-4-27-19-15(21)11-14(12-18(19)26-3)20(25)22-9-10-24-13(2)23-16-7-5-6-8-17(16)24/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,25)
InChIKeyFAVBDXMTVNKIGK-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.84
Rot. Bonds7

About 3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide

3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide (PubChem CID 26444068) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
PubChem CID26444068
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)NCCn2c(C)nc3ccccc32)cc1OC
InChIInChI=1S/C20H22ClN3O3/c1-4-27-19-15(21)11-14(12-18(19)26-3)20(25)22-9-10-24-13(2)23-16-7-5-6-8-17(16)24/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,25)
InChIKeyFAVBDXMTVNKIGK-UHFFFAOYSA-N
XLogP3.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide
CID 40716431
methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate
CID 33440660
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119445563
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 40716581
2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 24554267
3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
CID 51155753
3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3288194
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 71827803

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide (CID 26444068) is 3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide is CCOc1c(Cl)cc(C(=O)NCCn2c(C)nc3ccccc32)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The InChIKey is FAVBDXMTVNKIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-4-27-19-15(21)11-14(12-18(19)26-3)20(25)22-9-10-24-13(2)23-16-7-5-6-8-17(16)24/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,25).
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide has a molecular weight of 387.87 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 26444068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).