N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide

C19H21N3O — CID 20933815

IUPACN-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(CCc2nc3ccccc3n2C)c1
InChIInChI=1S/C19H21N3O/c1-3-19(23)20-15-8-6-7-14(13-15)11-12-18-21-16-9-4-5-10-17(16)22(18)2/h4-10,13H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyXGTGVZMYWQDFPD-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.71
Rot. Bonds5

About N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide

N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide (PubChem CID 20933815) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
PubChem CID20933815
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(CCc2nc3ccccc3n2C)c1
InChIInChI=1S/C19H21N3O/c1-3-19(23)20-15-8-6-7-14(13-15)11-12-18-21-16-9-4-5-10-17(16)22(18)2/h4-10,13H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyXGTGVZMYWQDFPD-UHFFFAOYSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46328435
2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328429
1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46382209
3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328410
1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825646
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide
CID 50957001
N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide
CID 46328403
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933779
1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825337
1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382224

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide?
The IUPAC name of N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide (CID 20933815) is N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide.
What is the SMILES notation for N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide?
The canonical SMILES for N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide is CCC(=O)Nc1cccc(CCc2nc3ccccc3n2C)c1.
What is the InChIKey of N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide?
The InChIKey is XGTGVZMYWQDFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-19(23)20-15-8-6-7-14(13-15)11-12-18-21-16-9-4-5-10-17(16)22(18)2/h4-10,13H,3,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide?
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide has a molecular weight of 307.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide is sourced from PubChem (CID 20933815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).