ethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate

C18H15ClN4O3 — CID 155083767

IUPACethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(Cl)cc3o1)n2C
InChIInChI=1S/C18H15ClN4O3/c1-3-25-16(24)10-4-7-14-13(8-10)20-17(23(14)2)22-18-21-12-6-5-11(19)9-15(12)26-18/h4-9H,3H2,1-2H3,(H,20,21,22)
InChIKeyJXEHJUJMEXOXOG-UHFFFAOYSA-N
MW370.80 g/mol
LogP4.29
Rot. Bonds4

About ethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate

ethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate (PubChem CID 155083767) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is ethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate
PubChem CID155083767
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Nameethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(Cl)cc3o1)n2C
InChIInChI=1S/C18H15ClN4O3/c1-3-25-16(24)10-4-7-14-13(8-10)20-17(23(14)2)22-18-21-12-6-5-11(19)9-15(12)26-18/h4-9H,3H2,1-2H3,(H,20,21,22)
InChIKeyJXEHJUJMEXOXOG-UHFFFAOYSA-N
XLogP4.29
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate
CID 155083762
1-[2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]ethanone
CID 159959596
ethyl 1-methyl-2-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate
CID 155083554
ethyl 2-[2-[[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carbonyl]amino]ethoxy]acetate
CID 155083820
ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-methylbenzimidazole-5-carboxylate
CID 86656917
2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide
CID 155083808
2-(1,3-benzoxazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide
CID 155083774
ethyl 2-(2-methoxyanilino)-1,3-benzoxazole-6-carboxylate
CID 166475757
2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide
CID 155083824
1-methyl-N-(2-methylsulfonylethyl)-2-[[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide
CID 155083834
2-[(6-acetyl-1,3-benzoxazol-2-yl)amino]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-methylbenzimidazole-5-carboxamide
CID 155607715
N-[4-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-4-oxobutyl]propanamide
CID 162033380

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate?
The IUPAC name of ethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate (CID 155083767) is ethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(Cl)cc3o1)n2C.
What is the InChIKey of ethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate?
The InChIKey is JXEHJUJMEXOXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-3-25-16(24)10-4-7-14-13(8-10)20-17(23(14)2)22-18-21-12-6-5-11(19)9-15(12)26-18/h4-9H,3H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate?
ethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate has a molecular weight of 370.80 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate is sourced from PubChem (CID 155083767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).