N-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide

C19H21N3O3 — CID 34328240

IUPACN-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nn2cnc3ccccc32)cc1OC
InChIInChI=1S/C19H21N3O3/c1-3-4-11-25-17-10-9-14(12-18(17)24-2)19(23)21-22-13-20-15-7-5-6-8-16(15)22/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,23)
InChIKeyFQLREODRDMFGAW-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.61
Rot. Bonds7

About N-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide

N-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide (PubChem CID 34328240) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide
PubChem CID34328240
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nn2cnc3ccccc32)cc1OC
InChIInChI=1S/C19H21N3O3/c1-3-4-11-25-17-10-9-14(12-18(17)24-2)19(23)21-22-13-20-15-7-5-6-8-16(15)22/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,23)
InChIKeyFQLREODRDMFGAW-UHFFFAOYSA-N
XLogP3.61
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.61
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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Related Compounds

N-(benzimidazol-1-yl)-3,4-diethoxybenzamide
CID 24535717
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N-(1,3-benzothiazol-2-yl)-4-butoxy-3-methoxybenzamide
CID 8882733
4-butoxy-3-methoxybenzamide
CID 47102628
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
4-butoxy-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3-methoxybenzamide
CID 5143530
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
benzimidazol-1-yl-(3-bromo-4-butoxyphenyl)methanone
CID 4955702
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 17009937
3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 17009941
N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide
CID 4880220
N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide
CID 9295314

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide?
The IUPAC name of N-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide (CID 34328240) is N-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide?
The canonical SMILES for N-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide is CCCCOc1ccc(C(=O)Nn2cnc3ccccc32)cc1OC.
What is the InChIKey of N-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide?
The InChIKey is FQLREODRDMFGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-4-11-25-17-10-9-14(12-18(17)24-2)19(23)21-22-13-20-15-7-5-6-8-16(15)22/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,23).
What are the key properties of N-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide?
N-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide has a molecular weight of 339.40 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide is sourced from PubChem (CID 34328240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).