N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide

C22H26N4O2 — CID 18156454

IUPACN-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)NC2CCN(Cc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C22H26N4O2/c1-2-25-19-10-6-7-11-20(19)26(22(25)28)16-21(27)23-18-12-13-24(15-18)14-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,23,27)
InChIKeyQNLUJPKLRKCKQW-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.21
Rot. Bonds6

About N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide

N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 18156454) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID18156454
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)NC2CCN(Cc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C22H26N4O2/c1-2-25-19-10-6-7-11-20(19)26(22(25)28)16-21(27)23-18-12-13-24(15-18)14-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,23,27)
InChIKeyQNLUJPKLRKCKQW-UHFFFAOYSA-N
XLogP2.21
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 34363205
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
2-[4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]acetamide
CID 134047876
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9488591
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 18121435
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 42792950
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 16613683
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 55945706
2-[4-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 24629861

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide (CID 18156454) is N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide is CCn1c(=O)n(CC(=O)NC2CCN(Cc3ccccc3)C2)c2ccccc21.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is QNLUJPKLRKCKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-25-19-10-6-7-11-20(19)26(22(25)28)16-21(27)23-18-12-13-24(15-18)14-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,23,27).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 378.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 18156454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).