N-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide

C21H22N4O2 — CID 175453707

IUPACN-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide
SMILESCNC(=O)c1ccc(-c2nc3ccccc3n2CC2CC(=O)N(C)C2)cc1
InChIInChI=1S/C21H22N4O2/c1-22-21(27)16-9-7-15(8-10-16)20-23-17-5-3-4-6-18(17)25(20)13-14-11-19(26)24(2)12-14/h3-10,14H,11-13H2,1-2H3,(H,22,27)
InChIKeyRSIXMGVSQFGPJA-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.54
Rot. Bonds4

About N-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide

N-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide (PubChem CID 175453707) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide
PubChem CID175453707
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide
SMILESCNC(=O)c1ccc(-c2nc3ccccc3n2CC2CC(=O)N(C)C2)cc1
InChIInChI=1S/C21H22N4O2/c1-22-21(27)16-9-7-15(8-10-16)20-23-17-5-3-4-6-18(17)25(20)13-14-11-19(26)24(2)12-14/h3-10,14H,11-13H2,1-2H3,(H,22,27)
InChIKeyRSIXMGVSQFGPJA-UHFFFAOYSA-N
XLogP2.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide
CID 175453744
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
N-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide
CID 66579632
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 84571531
4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide
CID 175453669
1-(4-bromophenyl)-3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propan-1-one
CID 84571654
4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
CID 73051445
3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide
CID 175453655
(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40500172
2-(2-methylbenzimidazol-1-yl)ethyl (Z)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoate
CID 94644270
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(3,4-dimethylphenyl)ethanone
CID 84571634
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide?
The IUPAC name of N-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide (CID 175453707) is N-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide?
The canonical SMILES for N-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide is CNC(=O)c1ccc(-c2nc3ccccc3n2CC2CC(=O)N(C)C2)cc1.
What is the InChIKey of N-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide?
The InChIKey is RSIXMGVSQFGPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-22-21(27)16-9-7-15(8-10-16)20-23-17-5-3-4-6-18(17)25(20)13-14-11-19(26)24(2)12-14/h3-10,14H,11-13H2,1-2H3,(H,22,27).
What are the key properties of N-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide?
N-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 175453707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).