N-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide

C21H22N4O2 — CID 17235960

IUPACN-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide
SMILESCn1c(CCN2CCCC2=O)nc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C21H22N4O2/c1-24-18-10-9-16(22-21(27)15-6-3-2-4-7-15)14-17(18)23-19(24)11-13-25-12-5-8-20(25)26/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,22,27)
InChIKeyCHBUHWDJNLXLBL-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.99
Rot. Bonds5

About N-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide

N-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide (PubChem CID 17235960) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide
PubChem CID17235960
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide
SMILESCn1c(CCN2CCCC2=O)nc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C21H22N4O2/c1-24-18-10-9-16(22-21(27)15-6-3-2-4-7-15)14-17(18)23-19(24)11-13-25-12-5-8-20(25)26/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,22,27)
InChIKeyCHBUHWDJNLXLBL-UHFFFAOYSA-N
XLogP2.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17218678
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]pentanamide
CID 17218670
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
CID 17218688
N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 46270360
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 50751836
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide
CID 4888721
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 4888718
4-methoxy-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328919
N-[2-[2-(4-benzoylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-nitrobenzamide
CID 4888580
4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide
CID 4886121
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide
CID 4890224

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide?
The IUPAC name of N-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide (CID 17235960) is N-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide.
What is the SMILES notation for N-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide?
The canonical SMILES for N-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide is Cn1c(CCN2CCCC2=O)nc2cc(NC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide?
The InChIKey is CHBUHWDJNLXLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24-18-10-9-16(22-21(27)15-6-3-2-4-7-15)14-17(18)23-19(24)11-13-25-12-5-8-20(25)26/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,22,27).
What are the key properties of N-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide?
N-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide is sourced from PubChem (CID 17235960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).