N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide

C17H17N3O2 — CID 18116381

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H17N3O2/c1-11(16-19-14-8-3-4-9-15(14)20-16)18-17(21)12-6-5-7-13(10-12)22-2/h3-11H,1-2H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyGKDOYKLYTMEEGI-NSHDSACASA-N
MW295.34 g/mol
LogP3.06
Rot. Bonds4

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide (PubChem CID 18116381) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
PubChem CID18116381
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H17N3O2/c1-11(16-19-14-8-3-4-9-15(14)20-16)18-17(21)12-6-5-7-13(10-12)22-2/h3-11H,1-2H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyGKDOYKLYTMEEGI-NSHDSACASA-N
XLogP3.06
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide
CID 22695827
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 43889810
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide
CID 60592481
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide
CID 60509786
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 77082172
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 55380895
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18116503
3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide
CID 100613262
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide (CID 18116381) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide?
The InChIKey is GKDOYKLYTMEEGI-NSHDSACASA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11(16-19-14-8-3-4-9-15(14)20-16)18-17(21)12-6-5-7-13(10-12)22-2/h3-11H,1-2H3,(H,18,21)(H,19,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide has a molecular weight of 295.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 18116381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).