3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide

C25H31N5O4 — CID 17236037

IUPAC3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
SMILESCCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3n2C)CC1
InChIInChI=1S/C25H31N5O4/c1-5-24(31)30-12-10-29(11-13-30)16-23-27-19-15-18(7-8-20(19)28(23)2)26-25(32)17-6-9-21(33-3)22(14-17)34-4/h6-9,14-15H,5,10-13,16H2,1-4H3,(H,26,32)
InChIKeyJEWJGPKIMGUJQB-UHFFFAOYSA-N
MW465.55 g/mol
LogP2.90
Rot. Bonds7

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

3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide (PubChem CID 17236037) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
PubChem CID17236037
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Name3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
SMILESCCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3n2C)CC1
InChIInChI=1S/C25H31N5O4/c1-5-24(31)30-12-10-29(11-13-30)16-23-27-19-15-18(7-8-20(19)28(23)2)26-25(32)17-6-9-21(33-3)22(14-17)34-4/h6-9,14-15H,5,10-13,16H2,1-4H3,(H,26,32)
InChIKeyJEWJGPKIMGUJQB-UHFFFAOYSA-N
XLogP2.90
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236030
2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 17236024
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 46263374
4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 46263404
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46263370
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-3,4-dimethoxybenzamide
CID 3161523
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methoxyphenoxy)acetamide;hydrochloride
CID 16682075
N-[2-(azepan-1-ylmethyl)-1-propylbenzimidazol-5-yl]-3,4,5-trimethoxybenzamide
CID 46263978
ethyl 4-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate
CID 24761610
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 4888718
N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 50751908
2-[[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]methyl]-1-methyl-N-propan-2-ylbenzimidazole-5-carboxamide
CID 50823801

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide (CID 17236037) is 3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide is CCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3n2C)CC1.
What is the InChIKey of 3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
The InChIKey is JEWJGPKIMGUJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-5-24(31)30-12-10-29(11-13-30)16-23-27-19-15-18(7-8-20(19)28(23)2)26-25(32)17-6-9-21(33-3)22(14-17)34-4/h6-9,14-15H,5,10-13,16H2,1-4H3,(H,26,32).
What are the key properties of 3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide has a molecular weight of 465.55 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide is sourced from PubChem (CID 17236037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).