N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide

C22H26N4O — CID 97191208

IUPACN-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
SMILESCc1nc2ccccc2n1CC(=O)N(C)C[C@@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C22H26N4O/c1-17-23-20-10-6-7-11-21(20)26(17)16-22(27)24(2)14-18-12-13-25(15-18)19-8-4-3-5-9-19/h3-11,18H,12-16H2,1-2H3/t18-/m0/s1
InChIKeyLBICXCUZLGZPGR-SFHVURJKSA-N
MW362.48 g/mol
LogP3.33
Rot. Bonds5

About N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide

N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide (PubChem CID 97191208) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
PubChem CID97191208
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
SMILESCc1nc2ccccc2n1CC(=O)N(C)C[C@@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C22H26N4O/c1-17-23-20-10-6-7-11-21(20)26(17)16-22(27)24(2)14-18-12-13-25(15-18)19-8-4-3-5-9-19/h3-11,18H,12-16H2,1-2H3/t18-/m0/s1
InChIKeyLBICXCUZLGZPGR-SFHVURJKSA-N
XLogP3.33
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 95210396
N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 96575921
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 43290786
N-(cyclohexylmethyl)-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
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1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 119540436
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 70778946
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 70779633
N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70739845
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride
CID 154912007
N-cyclohexyl-N-ethyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 112781129
2-[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-4-yl]acetamide
CID 131963219

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide (CID 97191208) is N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide is Cc1nc2ccccc2n1CC(=O)N(C)C[C@@H]1CCN(c2ccccc2)C1.
What is the InChIKey of N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The InChIKey is LBICXCUZLGZPGR-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17-23-20-10-6-7-11-21(20)26(17)16-22(27)24(2)14-18-12-13-25(15-18)19-8-4-3-5-9-19/h3-11,18H,12-16H2,1-2H3/t18-/m0/s1.
What are the key properties of N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide has a molecular weight of 362.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 97191208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).