N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide

C17H17N3O2 — CID 2787162

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H17N3O2/c1-22-13-8-6-12(7-9-13)17(21)18-11-10-16-19-14-4-2-3-5-15(14)20-16/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyAXOBGBWRHXHIMP-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.54
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide (PubChem CID 2787162) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide
PubChem CID2787162
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H17N3O2/c1-22-13-8-6-12(7-9-13)17(21)18-11-10-16-19-14-4-2-3-5-15(14)20-16/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyAXOBGBWRHXHIMP-UHFFFAOYSA-N
XLogP2.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pimobendan
CID 4823
Benzoimidazol-1-YL-(4-methoxy-phenyl)-methanone
CID 710646
2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide
CID 1511
Mchb-1
CID 44561533
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 724128
2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
CID 10292240
2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10423087
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
N,N-diisopentyl-2-(4-methoxybenzoyl)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432966
4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-1-methylpyrrolidin-2-one
CID 59326873

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide (CID 2787162) is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide?
The InChIKey is AXOBGBWRHXHIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-13-8-6-12(7-9-13)17(21)18-11-10-16-19-14-4-2-3-5-15(14)20-16/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide has a molecular weight of 295.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 2787162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).