(2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide

C23H22N4O — CID 40790879

IUPAC(2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@@H](Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1
InChIInChI=1S/C23H22N4O/c1-27(2)23(28)21(16-9-4-3-5-10-16)24-18-12-8-11-17(15-18)22-25-19-13-6-7-14-20(19)26-22/h3-15,21,24H,1-2H3,(H,25,26)/t21-/m0/s1
InChIKeyMJWXQCOYMBGJFY-NRFANRHFSA-N
MW370.46 g/mol
LogP4.47
Rot. Bonds5

About (2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide

(2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide (PubChem CID 40790879) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is (2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide
PubChem CID40790879
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name(2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@@H](Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1
InChIInChI=1S/C23H22N4O/c1-27(2)23(28)21(16-9-4-3-5-10-16)24-18-12-8-11-17(15-18)22-25-19-13-6-7-14-20(19)26-22/h3-15,21,24H,1-2H3,(H,25,26)/t21-/m0/s1
InChIKeyMJWXQCOYMBGJFY-NRFANRHFSA-N
XLogP4.47
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
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methyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate
CID 70037034
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
dimethyl (E)-2-[3-(1H-benzimidazol-2-yl)anilino]but-2-enedioate
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N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993117
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
CID 3706187
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119832390
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 51109807
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of (2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide (CID 40790879) is (2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)[C@@H](Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1.
What is the InChIKey of (2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide?
The InChIKey is MJWXQCOYMBGJFY-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22N4O/c1-27(2)23(28)21(16-9-4-3-5-10-16)24-18-12-8-11-17(15-18)22-25-19-13-6-7-14-20(19)26-22/h3-15,21,24H,1-2H3,(H,25,26)/t21-/m0/s1.
What are the key properties of (2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide?
(2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 370.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 40790879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).