6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide

C18H19N5O3 — CID 70659597

IUPAC6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide
SMILESCOc1cc2c(cc1C(N)=O)nc(N1CCOCC1)n2-c1cccnc1
InChIInChI=1S/C18H19N5O3/c1-25-16-10-15-14(9-13(16)17(19)24)21-18(22-5-7-26-8-6-22)23(15)12-3-2-4-20-11-12/h2-4,9-11H,5-8H2,1H3,(H2,19,24)
InChIKeyVJBJUVQHEDQQOK-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.36
Rot. Bonds4

About 6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide

6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide (PubChem CID 70659597) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide
PubChem CID70659597
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide
SMILESCOc1cc2c(cc1C(N)=O)nc(N1CCOCC1)n2-c1cccnc1
InChIInChI=1S/C18H19N5O3/c1-25-16-10-15-14(9-13(16)17(19)24)21-18(22-5-7-26-8-6-22)23(15)12-3-2-4-20-11-12/h2-4,9-11H,5-8H2,1H3,(H2,19,24)
InChIKeyVJBJUVQHEDQQOK-UHFFFAOYSA-N
XLogP1.36
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide?
The IUPAC name of 6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide (CID 70659597) is 6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide is COc1cc2c(cc1C(N)=O)nc(N1CCOCC1)n2-c1cccnc1.
What is the InChIKey of 6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide?
The InChIKey is VJBJUVQHEDQQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-25-16-10-15-14(9-13(16)17(19)24)21-18(22-5-7-26-8-6-22)23(15)12-3-2-4-20-11-12/h2-4,9-11H,5-8H2,1H3,(H2,19,24).
What are the key properties of 6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide?
6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 70659597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).