N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)oxane-4-carboxamide

C18H25N3O4 — CID 127044335

IUPACN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)oxane-4-carboxamide
SMILESCC(C)Oc1cc2c(cc1NC(=O)C1CCOCC1)n(C)c(=O)n2C
InChIInChI=1S/C18H25N3O4/c1-11(2)25-16-10-15-14(20(3)18(23)21(15)4)9-13(16)19-17(22)12-5-7-24-8-6-12/h9-12H,5-8H2,1-4H3,(H,19,22)
InChIKeyMRMDSRBFFVVOCR-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.03
Rot. Bonds4

About N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)oxane-4-carboxamide

N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)oxane-4-carboxamide (PubChem CID 127044335) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)oxane-4-carboxamide
PubChem CID127044335
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)oxane-4-carboxamide
SMILESCC(C)Oc1cc2c(cc1NC(=O)C1CCOCC1)n(C)c(=O)n2C
InChIInChI=1S/C18H25N3O4/c1-11(2)25-16-10-15-14(20(3)18(23)21(15)4)9-13(16)19-17(22)12-5-7-24-8-6-12/h9-12H,5-8H2,1-4H3,(H,19,22)
InChIKeyMRMDSRBFFVVOCR-UHFFFAOYSA-N
XLogP2.03
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)oxane-4-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)oxane-4-carboxamide (CID 127044335) is N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)oxane-4-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)oxane-4-carboxamide is CC(C)Oc1cc2c(cc1NC(=O)C1CCOCC1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)oxane-4-carboxamide?
The InChIKey is MRMDSRBFFVVOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-11(2)25-16-10-15-14(20(3)18(23)21(15)4)9-13(16)19-17(22)12-5-7-24-8-6-12/h9-12H,5-8H2,1-4H3,(H,19,22).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)oxane-4-carboxamide?
N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)oxane-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)oxane-4-carboxamide is sourced from PubChem (CID 127044335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).