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

C17H17N3O2S — CID 78806018

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide
SMILESCC(NC(=O)c1ccc(S(C)=O)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N3O2S/c1-11(16-19-14-5-3-4-6-15(14)20-16)18-17(21)12-7-9-13(10-8-12)23(2)22/h3-11H,1-2H3,(H,18,21)(H,19,20)
InChIKeyNDVBZFISSQLUKM-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.79
Rot. Bonds4

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

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide (PubChem CID 78806018) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide
PubChem CID78806018
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide
SMILESCC(NC(=O)c1ccc(S(C)=O)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N3O2S/c1-11(16-19-14-5-3-4-6-15(14)20-16)18-17(21)12-7-9-13(10-8-12)23(2)22/h3-11H,1-2H3,(H,18,21)(H,19,20)
InChIKeyNDVBZFISSQLUKM-UHFFFAOYSA-N
XLogP2.79
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 74232246
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95233258
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95872440
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18116503
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide
CID 134032924
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide (CID 78806018) is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide is CC(NC(=O)c1ccc(S(C)=O)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide?
The InChIKey is NDVBZFISSQLUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11(16-19-14-5-3-4-6-15(14)20-16)18-17(21)12-7-9-13(10-8-12)23(2)22/h3-11H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide has a molecular weight of 327.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide is sourced from PubChem (CID 78806018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).