3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide

C18H19N3O2 — CID 40716416

IUPAC3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C18H19N3O2/c1-13-20-16-8-3-4-9-17(16)21(13)11-10-19-18(22)14-6-5-7-15(12-14)23-2/h3-9,12H,10-11H2,1-2H3,(H,19,22)
InChIKeyDKBXNWJGTJOTQP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.78
Rot. Bonds5

About 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide

3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide (PubChem CID 40716416) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
PubChem CID40716416
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C18H19N3O2/c1-13-20-16-8-3-4-9-17(16)21(13)11-10-19-18(22)14-6-5-7-15(12-14)23-2/h3-9,12H,10-11H2,1-2H3,(H,19,22)
InChIKeyDKBXNWJGTJOTQP-UHFFFAOYSA-N
XLogP2.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide
CID 55794237
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 112832627
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 26444132
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 40716581
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-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978161
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-nitrobenzamide
CID 51277941
3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983688
3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007901

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide (CID 40716416) is 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide is COc1cccc(C(=O)NCCn2c(C)nc3ccccc32)c1.
What is the InChIKey of 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The InChIKey is DKBXNWJGTJOTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-20-16-8-3-4-9-17(16)21(13)11-10-19-18(22)14-6-5-7-15(12-14)23-2/h3-9,12H,10-11H2,1-2H3,(H,19,22).
What are the key properties of 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 40716416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).