N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide

C19H21N3O2 — CID 46963232

IUPACN-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCOc1ccccc1CCCNC(=O)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C19H21N3O2/c1-13-21-16-10-9-15(12-17(16)22-13)19(23)20-11-5-7-14-6-3-4-8-18(14)24-2/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyZJSYTDFKKUYPDJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.24
Rot. Bonds6

About N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide

N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 46963232) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide
PubChem CID46963232
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCOc1ccccc1CCCNC(=O)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C19H21N3O2/c1-13-21-16-10-9-15(12-17(16)22-13)19(23)20-11-5-7-14-6-3-4-8-18(14)24-2/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyZJSYTDFKKUYPDJ-UHFFFAOYSA-N
XLogP3.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 110690530
N-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide
CID 118762164
3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100532843
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide
CID 46963233
2-(2-ethyl-3H-benzimidazol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110772738
2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide
CID 110765504
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide (CID 46963232) is N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide is COc1ccccc1CCCNC(=O)c1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is ZJSYTDFKKUYPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-21-16-10-9-15(12-17(16)22-13)19(23)20-11-5-7-14-6-3-4-8-18(14)24-2/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide?
N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 46963232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).