N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)butanamide

C16H23N3O3 — CID 127044333

IUPACN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)butanamide
SMILESCCCC(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2C
InChIInChI=1S/C16H23N3O3/c1-6-7-15(20)17-11-8-12-13(9-14(11)22-10(2)3)19(5)16(21)18(12)4/h8-10H,6-7H2,1-5H3,(H,17,20)
InChIKeyBIJRKYUOTWRRBK-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.40
Rot. Bonds5

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

N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)butanamide (PubChem CID 127044333) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)butanamide
PubChem CID127044333
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)butanamide
SMILESCCCC(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2C
InChIInChI=1S/C16H23N3O3/c1-6-7-15(20)17-11-8-12-13(9-14(11)22-10(2)3)19(5)16(21)18(12)4/h8-10H,6-7H2,1-5H3,(H,17,20)
InChIKeyBIJRKYUOTWRRBK-UHFFFAOYSA-N
XLogP2.40
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)butanamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)butanamide (CID 127044333) is N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)butanamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)butanamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)butanamide is CCCC(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)butanamide?
The InChIKey is BIJRKYUOTWRRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-6-7-15(20)17-11-8-12-13(9-14(11)22-10(2)3)19(5)16(21)18(12)4/h8-10H,6-7H2,1-5H3,(H,17,20).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)butanamide?
N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)butanamide has a molecular weight of 305.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)butanamide is sourced from PubChem (CID 127044333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).