2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide

C20H29N5O2 — CID 17236024

IUPAC2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
SMILESCCC(=O)N1CCN(Cc2nc3cc(NC(=O)C(C)C)ccc3n2C)CC1
InChIInChI=1S/C20H29N5O2/c1-5-19(26)25-10-8-24(9-11-25)13-18-22-16-12-15(21-20(27)14(2)3)6-7-17(16)23(18)4/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,21,27)
InChIKeyMLWRYVGAUCYYDC-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.22
Rot. Bonds5

About 2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide

2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide (PubChem CID 17236024) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
PubChem CID17236024
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
SMILESCCC(=O)N1CCN(Cc2nc3cc(NC(=O)C(C)C)ccc3n2C)CC1
InChIInChI=1S/C20H29N5O2/c1-5-19(26)25-10-8-24(9-11-25)13-18-22-16-12-15(21-20(27)14(2)3)6-7-17(16)23(18)4/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,21,27)
InChIKeyMLWRYVGAUCYYDC-UHFFFAOYSA-N
XLogP2.22
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611212
4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236030
3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236037
ethyl 4-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate
CID 24761610
2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
CID 53207528
N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
CID 23612883
1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 56814014
(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 92589506
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide
CID 4898424
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methoxyphenoxy)acetamide;hydrochloride
CID 16682075

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide (CID 17236024) is 2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide is CCC(=O)N1CCN(Cc2nc3cc(NC(=O)C(C)C)ccc3n2C)CC1.
What is the InChIKey of 2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide?
The InChIKey is MLWRYVGAUCYYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-5-19(26)25-10-8-24(9-11-25)13-18-22-16-12-15(21-20(27)14(2)3)6-7-17(16)23(18)4/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,21,27).
What are the key properties of 2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide?
2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide has a molecular weight of 371.49 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide is sourced from PubChem (CID 17236024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).