3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide

C22H26N4O2 — CID 4890224

IUPAC3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)nc(CCN2CCOCC2)n3C)c1
InChIInChI=1S/C22H26N4O2/c1-16-4-3-5-17(14-16)22(27)23-18-6-7-20-19(15-18)24-21(25(20)2)8-9-26-10-12-28-13-11-26/h3-7,14-15H,8-13H2,1-2H3,(H,23,27)
InChIKeyGWYKMDXMOROYBF-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.01
Rot. Bonds5

About 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide

3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide (PubChem CID 4890224) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide
PubChem CID4890224
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)nc(CCN2CCOCC2)n3C)c1
InChIInChI=1S/C22H26N4O2/c1-16-4-3-5-17(14-16)22(27)23-18-6-7-20-19(15-18)24-21(25(20)2)8-9-26-10-12-28-13-11-26/h3-7,14-15H,8-13H2,1-2H3,(H,23,27)
InChIKeyGWYKMDXMOROYBF-UHFFFAOYSA-N
XLogP3.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46263370
N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 17218650
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide
CID 4900397
N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46270391
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide
CID 4888721
2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
CID 50751442
N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]-3-nitrobenzamide
CID 4972043
4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide
CID 4886121
2-(4-chlorophenoxy)-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide
CID 666438
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-3-nitrobenzamide
CID 4895850
N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-4-nitrobenzamide
CID 4895623
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide?
The IUPAC name of 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide (CID 4890224) is 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide?
The canonical SMILES for 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide is Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CCN2CCOCC2)n3C)c1.
What is the InChIKey of 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide?
The InChIKey is GWYKMDXMOROYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-4-3-5-17(14-16)22(27)23-18-6-7-20-19(15-18)24-21(25(20)2)8-9-26-10-12-28-13-11-26/h3-7,14-15H,8-13H2,1-2H3,(H,23,27).
What are the key properties of 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide?
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide has a molecular weight of 378.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide is sourced from PubChem (CID 4890224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).