N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide

C22H24N4O2 — CID 25344686

IUPACN-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1C
InChIInChI=1S/C22H24N4O2/c1-14-9-10-16(12-15(14)2)22(28)23-13-20(27)26-11-5-8-19(26)21-24-17-6-3-4-7-18(17)25-21/h3-4,6-7,9-10,12,19H,5,8,11,13H2,1-2H3,(H,23,28)(H,24,25)/t19-/m0/s1
InChIKeyOBWSILCHZHNCIV-IBGZPJMESA-N
MW376.46 g/mol
LogP3.27
Rot. Bonds4

About N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 25344686) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID25344686
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1C
InChIInChI=1S/C22H24N4O2/c1-14-9-10-16(12-15(14)2)22(28)23-13-20(27)26-11-5-8-19(26)21-24-17-6-3-4-7-18(17)25-21/h3-4,6-7,9-10,12,19H,5,8,11,13H2,1-2H3,(H,23,28)(H,24,25)/t19-/m0/s1
InChIKeyOBWSILCHZHNCIV-IBGZPJMESA-N
XLogP3.27
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 25405874
N-[2-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 25405873
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
(2S)-2-(1H-benzimidazol-2-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxamide
CID 125144818
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 51270033
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 92512790
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 25405327
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 55759179
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 40920690
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 25389944

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide (CID 25344686) is N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1C.
What is the InChIKey of N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is OBWSILCHZHNCIV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-9-10-16(12-15(14)2)22(28)23-13-20(27)26-11-5-8-19(26)21-24-17-6-3-4-7-18(17)25-21/h3-4,6-7,9-10,12,19H,5,8,11,13H2,1-2H3,(H,23,28)(H,24,25)/t19-/m0/s1.
What are the key properties of N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 376.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 25344686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).