N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide

C23H29N5O2 — CID 23611156

IUPACN-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCN(C)CC2)n3C)cc1
InChIInChI=1S/C23H29N5O2/c1-17-4-7-19(8-5-17)30-16-23(29)24-18-6-9-21-20(14-18)25-22(27(21)3)15-28-12-10-26(2)11-13-28/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,29)
InChIKeyRHTMKJDKFWAMAD-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.65
Rot. Bonds6

About N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide

N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 23611156) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
PubChem CID23611156
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCN(C)CC2)n3C)cc1
InChIInChI=1S/C23H29N5O2/c1-17-4-7-19(8-5-17)30-16-23(29)24-18-6-9-21-20(14-18)25-22(27(21)3)15-28-12-10-26(2)11-13-28/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,29)
InChIKeyRHTMKJDKFWAMAD-UHFFFAOYSA-N
XLogP2.65
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 23611197
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methoxyphenoxy)acetamide;hydrochloride
CID 16682075
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide
CID 23611196
2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 23611162
2-(4-methoxyphenoxy)-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]acetamide
CID 17236113
N-[2-[2-(4-benzoylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 4888420
N-[2-[1-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270460
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
2-(4-chlorophenoxy)-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide
CID 666438
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 46263374
ethyl 4-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate
CID 24761610

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide (CID 23611156) is N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCN(C)CC2)n3C)cc1.
What is the InChIKey of N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is RHTMKJDKFWAMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-17-4-7-19(8-5-17)30-16-23(29)24-18-6-9-21-20(14-18)25-22(27(21)3)15-28-12-10-26(2)11-13-28/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,29).
What are the key properties of N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide?
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 407.52 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 23611156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).