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

C19H18N4O4 — CID 155083762

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC)cc3o1)n2C
InChIInChI=1S/C19H18N4O4/c1-4-26-17(24)11-5-8-15-14(9-11)20-18(23(15)2)22-19-21-13-7-6-12(25-3)10-16(13)27-19/h5-10H,4H2,1-3H3,(H,20,21,22)
InChIKeyFRVIEIBWSQGCGL-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.64
Rot. Bonds5

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

Ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate (PubChem CID 155083762) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate.

Molecular Properties

Compound NameEthyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate
PubChem CID155083762
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Nameethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC)cc3o1)n2C
InChIInChI=1S/C19H18N4O4/c1-4-26-17(24)11-5-8-15-14(9-11)20-18(23(15)2)22-19-21-13-7-6-12(25-3)10-16(13)27-19/h5-10H,4H2,1-3H3,(H,20,21,22)
InChIKeyFRVIEIBWSQGCGL-UHFFFAOYSA-N
XLogP3.64
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of Ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate?
The IUPAC name of Ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate (CID 155083762) is ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate.
What is the SMILES notation for Ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate?
The canonical SMILES for Ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC)cc3o1)n2C.
What is the InChIKey of Ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate?
The InChIKey is FRVIEIBWSQGCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-4-26-17(24)11-5-8-15-14(9-11)20-18(23(15)2)22-19-21-13-7-6-12(25-3)10-16(13)27-19/h5-10H,4H2,1-3H3,(H,20,21,22).
What are the key properties of Ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate?
Ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate has a molecular weight of 366.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate is sourced from PubChem (CID 155083762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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