3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

C22H26N4O — CID 43045408

IUPAC3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C22H26N4O/c1-25(16-17-8-2-5-11-20(17)26-14-6-7-15-26)22(27)13-12-21-23-18-9-3-4-10-19(18)24-21/h2-5,8-11H,6-7,12-16H2,1H3,(H,23,24)
InChIKeyDOAZCCUWQQBZHH-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.75
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide (PubChem CID 43045408) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
PubChem CID43045408
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C22H26N4O/c1-25(16-17-8-2-5-11-20(17)26-14-6-7-15-26)22(27)13-12-21-23-18-9-3-4-10-19(18)24-21/h2-5,8-11H,6-7,12-16H2,1H3,(H,23,24)
InChIKeyDOAZCCUWQQBZHH-UHFFFAOYSA-N
XLogP3.75
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(1H-benzimidazol-2-yl)-N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide
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3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 42114788
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 35437793
3-(1H-benzimidazol-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide (CID 43045408) is 3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide is CN(Cc1ccccc1N1CCCC1)C(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The InChIKey is DOAZCCUWQQBZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-25(16-17-8-2-5-11-20(17)26-14-6-7-15-26)22(27)13-12-21-23-18-9-3-4-10-19(18)24-21/h2-5,8-11H,6-7,12-16H2,1H3,(H,23,24).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide has a molecular weight of 362.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 43045408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).