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

C18H19N3O — CID 20933779

IUPACN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(CCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H19N3O/c1-2-18(22)19-14-7-5-6-13(12-14)10-11-17-20-15-8-3-4-9-16(15)21-17/h3-9,12H,2,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyVLIVQHDWVIHACP-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.70
Rot. Bonds5

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

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide (PubChem CID 20933779) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide
PubChem CID20933779
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(CCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H19N3O/c1-2-18(22)19-14-7-5-6-13(12-14)10-11-17-20-15-8-3-4-9-16(15)21-17/h3-9,12H,2,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyVLIVQHDWVIHACP-UHFFFAOYSA-N
XLogP3.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide
CID 20933774
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 20933767
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46328395
1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea
CID 3844150
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide
CID 50822907
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethylbenzenesulfonamide
CID 46379478
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 46290554
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
CID 35955630
N-(3-methylsulfanylphenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789523
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 46290552

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide?
The IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide (CID 20933779) is N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide.
What is the SMILES notation for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide?
The canonical SMILES for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide is CCC(=O)Nc1cccc(CCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide?
The InChIKey is VLIVQHDWVIHACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-18(22)19-14-7-5-6-13(12-14)10-11-17-20-15-8-3-4-9-16(15)21-17/h3-9,12H,2,10-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide?
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide has a molecular weight of 293.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide is sourced from PubChem (CID 20933779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).