2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide

C14H16N4O2 — CID 134811588

IUPAC2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide
SMILESCn1c(C2CC(=O)N(CC(N)=O)C2)nc2ccccc21
InChIInChI=1S/C14H16N4O2/c1-17-11-5-3-2-4-10(11)16-14(17)9-6-13(20)18(7-9)8-12(15)19/h2-5,9H,6-8H2,1H3,(H2,15,19)
InChIKeyDEWTXBNXOOXDOW-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.37
Rot. Bonds3

About 2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide

2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide (PubChem CID 134811588) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide
PubChem CID134811588
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide
SMILESCn1c(C2CC(=O)N(CC(N)=O)C2)nc2ccccc21
InChIInChI=1S/C14H16N4O2/c1-17-11-5-3-2-4-10(11)16-14(17)9-6-13(20)18(7-9)8-12(15)19/h2-5,9H,6-8H2,1H3,(H2,15,19)
InChIKeyDEWTXBNXOOXDOW-UHFFFAOYSA-N
XLogP0.37
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 23607619
1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 43837404
(4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 39115865
1-[(4-methoxyphenyl)methyl]-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005532
2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide;hydrochloride
CID 170974229
1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615470
(4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136822
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide (CID 134811588) is 2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide is Cn1c(C2CC(=O)N(CC(N)=O)C2)nc2ccccc21.
What is the InChIKey of 2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide?
The InChIKey is DEWTXBNXOOXDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-17-11-5-3-2-4-10(11)16-14(17)9-6-13(20)18(7-9)8-12(15)19/h2-5,9H,6-8H2,1H3,(H2,15,19).
What are the key properties of 2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide?
2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide has a molecular weight of 272.31 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylbenzimidazol-2-yl)-2-oxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 134811588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).