N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C22H22N4O2 — CID 131932897

IUPACN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1nccn1Cc1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H22N4O2/c1-16-23-12-14-25(16)15-18-5-2-3-6-20(18)24-22(28)17-8-10-19(11-9-17)26-13-4-7-21(26)27/h2-3,5-6,8-12,14H,4,7,13,15H2,1H3,(H,24,28)
InChIKeyIYPATIOWIMEKPG-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.62
Rot. Bonds5

About N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 131932897) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID131932897
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1nccn1Cc1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H22N4O2/c1-16-23-12-14-25(16)15-18-5-2-3-6-20(18)24-22(28)17-8-10-19(11-9-17)26-13-4-7-21(26)27/h2-3,5-6,8-12,14H,4,7,13,15H2,1H3,(H,24,28)
InChIKeyIYPATIOWIMEKPG-UHFFFAOYSA-N
XLogP3.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7750845
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CID 131899424
N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 131922083
4-(2-oxopyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 93174619
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131940335
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43073960
N-[2-(4-methylphenoxy)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24681364
N-[2-(azepane-1-carbonyl)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925512
4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 33372865
N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride
CID 120604511
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 131932897) is N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is Cc1nccn1Cc1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is IYPATIOWIMEKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16-23-12-14-25(16)15-18-5-2-3-6-20(18)24-22(28)17-8-10-19(11-9-17)26-13-4-7-21(26)27/h2-3,5-6,8-12,14H,4,7,13,15H2,1H3,(H,24,28).
What are the key properties of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 131932897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).