N-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide

C21H28N4O — CID 128971093

IUPACN-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide
SMILESCNC(=O)c1cccc(CN2CCCC2c2nc3c(n2C)CCCC3)c1
InChIInChI=1S/C21H28N4O/c1-22-21(26)16-8-5-7-15(13-16)14-25-12-6-11-19(25)20-23-17-9-3-4-10-18(17)24(20)2/h5,7-8,13,19H,3-4,6,9-12,14H2,1-2H3,(H,22,26)
InChIKeyNPIDFTLPYCYRAW-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.00
Rot. Bonds4

About N-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide

N-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide (PubChem CID 128971093) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide
PubChem CID128971093
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide
SMILESCNC(=O)c1cccc(CN2CCCC2c2nc3c(n2C)CCCC3)c1
InChIInChI=1S/C21H28N4O/c1-22-21(26)16-8-5-7-15(13-16)14-25-12-6-11-19(25)20-23-17-9-3-4-10-18(17)24(20)2/h5,7-8,13,19H,3-4,6,9-12,14H2,1-2H3,(H,22,26)
InChIKeyNPIDFTLPYCYRAW-UHFFFAOYSA-N
XLogP3.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide
CID 128973937
1-methyl-2-[1-[(1-methylpyrrol-3-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 128978934
1-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 128978946
2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 129477373
2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 129475019
3-benzyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128967394
2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 128965274
3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 124965532
1-methyl-2-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 127975036
2-[[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-benzoxazole
CID 129334462
2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 128978977
N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 129343428

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of N-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide (CID 128971093) is N-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide is CNC(=O)c1cccc(CN2CCCC2c2nc3c(n2C)CCCC3)c1.
What is the InChIKey of N-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide?
The InChIKey is NPIDFTLPYCYRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-22-21(26)16-8-5-7-15(13-16)14-25-12-6-11-19(25)20-23-17-9-3-4-10-18(17)24(20)2/h5,7-8,13,19H,3-4,6,9-12,14H2,1-2H3,(H,22,26).
What are the key properties of N-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide?
N-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 128971093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).