2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide

C22H26N4O — CID 124730634

IUPAC2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1ccc2nc([C@@H]3CCCN3CC(=O)N[C@H](C)c3ccccc3)[nH]c2c1
InChIInChI=1S/C22H26N4O/c1-15-10-11-18-19(13-15)25-22(24-18)20-9-6-12-26(20)14-21(27)23-16(2)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16,20H,6,9,12,14H2,1-2H3,(H,23,27)(H,24,25)/t16-,20+/m1/s1
InChIKeyHUHUXBFAQYQCJF-UZLBHIALSA-N
MW362.48 g/mol
LogP3.89
Rot. Bonds5

About 2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide

2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 124730634) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID124730634
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1ccc2nc([C@@H]3CCCN3CC(=O)N[C@H](C)c3ccccc3)[nH]c2c1
InChIInChI=1S/C22H26N4O/c1-15-10-11-18-19(13-15)25-22(24-18)20-9-6-12-26(20)14-21(27)23-16(2)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16,20H,6,9,12,14H2,1-2H3,(H,23,27)(H,24,25)/t16-,20+/m1/s1
InChIKeyHUHUXBFAQYQCJF-UZLBHIALSA-N
XLogP3.89
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 167762189
3-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propanoic acid
CID 95725718
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9033490
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9033481
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
5-[[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 42096814
2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide
CID 139000386
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 108733646
3-ethoxy-1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 70753192
2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9434707
isoquinolin-1-yl-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 60612000
2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide
CID 63250347

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide (CID 124730634) is 2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide is Cc1ccc2nc([C@@H]3CCCN3CC(=O)N[C@H](C)c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is HUHUXBFAQYQCJF-UZLBHIALSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-10-11-18-19(13-15)25-22(24-18)20-9-6-12-26(20)14-21(27)23-16(2)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16,20H,6,9,12,14H2,1-2H3,(H,23,27)(H,24,25)/t16-,20+/m1/s1.
What are the key properties of 2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 362.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 124730634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).