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

C23H28ClN5O2 — CID 17236140

IUPAC2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
SMILESCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21
InChIInChI=1S/C23H28ClN5O2/c1-3-29-20-9-8-17(25-23(30)16-31-21-7-5-4-6-18(21)24)14-19(20)26-22(29)15-28-12-10-27(2)11-13-28/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,25,30)
InChIKeyVCJOUCHWQJKPPG-UHFFFAOYSA-N
MW441.96 g/mol
LogP3.47
Rot. Bonds7

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

2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide (PubChem CID 17236140) has the molecular formula C23H28ClN5O2 and a molecular weight of 441.96 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
PubChem CID17236140
Molecular FormulaC23H28ClN5O2
Molecular Weight441.96 g/mol
Exact Mass441.19
IUPAC Name2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
SMILESCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21
InChIInChI=1S/C23H28ClN5O2/c1-3-29-20-9-8-17(25-23(30)16-31-21-7-5-4-6-18(21)24)14-19(20)26-22(29)15-28-12-10-27(2)11-13-28/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,25,30)
InChIKeyVCJOUCHWQJKPPG-UHFFFAOYSA-N
XLogP3.47
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 23611162
N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide
CID 50745132
2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide
CID 53207549
2-(4-methoxyphenoxy)-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]acetamide
CID 17236113
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 17236012
N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
CID 17236134
4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236238
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide
CID 23611196
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 23611156
N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide
CID 17236147
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide
CID 23611201
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide (CID 17236140) is 2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide is CCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide?
The InChIKey is VCJOUCHWQJKPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O2/c1-3-29-20-9-8-17(25-23(30)16-31-21-7-5-4-6-18(21)24)14-19(20)26-22(29)15-28-12-10-27(2)11-13-28/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,25,30).
What are the key properties of 2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide?
2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide has a molecular weight of 441.96 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide is sourced from PubChem (CID 17236140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).