N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide

C21H25N3O2 — CID 55794237

IUPACN-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C21H25N3O2/c1-3-14-26-18-9-6-8-17(15-18)21(25)22-12-7-13-24-16(2)23-19-10-4-5-11-20(19)24/h4-6,8-11,15H,3,7,12-14H2,1-2H3,(H,22,25)
InChIKeyRJLGUGKCHUGBDT-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.95
Rot. Bonds8

About N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide

N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide (PubChem CID 55794237) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide
PubChem CID55794237
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C21H25N3O2/c1-3-14-26-18-9-6-8-17(15-18)21(25)22-12-7-13-24-16(2)23-19-10-4-5-11-20(19)24/h4-6,8-11,15H,3,7,12-14H2,1-2H3,(H,22,25)
InChIKeyRJLGUGKCHUGBDT-UHFFFAOYSA-N
XLogP3.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-nitrobenzamide
CID 51277941
3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 55634219
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-3-methoxybenzamide
CID 16983711
3-methoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978144
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989356
3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990344
3-bromo-N-[3-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983370
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362
N-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]benzamide
CID 111353072

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide?
The IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide (CID 55794237) is N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide.
What is the SMILES notation for N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide?
The canonical SMILES for N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NCCCn2c(C)nc3ccccc32)c1.
What is the InChIKey of N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide?
The InChIKey is RJLGUGKCHUGBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-14-26-18-9-6-8-17(15-18)21(25)22-12-7-13-24-16(2)23-19-10-4-5-11-20(19)24/h4-6,8-11,15H,3,7,12-14H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide?
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide has a molecular weight of 351.45 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide is sourced from PubChem (CID 55794237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).