N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide

C14H19N3O3 — CID 139451776

IUPACN-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide
SMILESCOc1ccc2nc(OC)n(CCCNC(C)=O)c2c1
InChIInChI=1S/C14H19N3O3/c1-10(18)15-7-4-8-17-13-9-11(19-2)5-6-12(13)16-14(17)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyIGBXTAHNBAVPGY-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.58
Rot. Bonds6

About N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide

N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide (PubChem CID 139451776) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide
PubChem CID139451776
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide
SMILESCOc1ccc2nc(OC)n(CCCNC(C)=O)c2c1
InChIInChI=1S/C14H19N3O3/c1-10(18)15-7-4-8-17-13-9-11(19-2)5-6-12(13)16-14(17)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyIGBXTAHNBAVPGY-UHFFFAOYSA-N
XLogP1.58
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide?
The IUPAC name of N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide (CID 139451776) is N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide?
The canonical SMILES for N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide is COc1ccc2nc(OC)n(CCCNC(C)=O)c2c1.
What is the InChIKey of N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide?
The InChIKey is IGBXTAHNBAVPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(18)15-7-4-8-17-13-9-11(19-2)5-6-12(13)16-14(17)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,18).
What are the key properties of N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide?
N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide has a molecular weight of 277.32 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide is sourced from PubChem (CID 139451776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).