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

C22H26ClN5O2 — CID 23611162

IUPAC2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
SMILESCN1CCN(Cc2nc3cc(NC(=O)COc4ccccc4Cl)ccc3n2C)CC1
InChIInChI=1S/C22H26ClN5O2/c1-26-9-11-28(12-10-26)14-21-25-18-13-16(7-8-19(18)27(21)2)24-22(29)15-30-20-6-4-3-5-17(20)23/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,29)
InChIKeyIMFNHQHLAMMDHJ-UHFFFAOYSA-N
MW427.94 g/mol
LogP2.99
Rot. Bonds6

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

2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide (PubChem CID 23611162) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
PubChem CID23611162
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
SMILESCN1CCN(Cc2nc3cc(NC(=O)COc4ccccc4Cl)ccc3n2C)CC1
InChIInChI=1S/C22H26ClN5O2/c1-26-9-11-28(12-10-26)14-21-25-18-13-16(7-8-19(18)27(21)2)24-22(29)15-30-20-6-4-3-5-17(20)23/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,29)
InChIKeyIMFNHQHLAMMDHJ-UHFFFAOYSA-N
XLogP2.99
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 17236140
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-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide
CID 50745132
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 23611197
N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 50751969
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methoxyphenoxy)acetamide;hydrochloride
CID 16682075
2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide
CID 17236094
2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide
CID 53207549
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide
CID 53207578

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide (CID 23611162) is 2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide is CN1CCN(Cc2nc3cc(NC(=O)COc4ccccc4Cl)ccc3n2C)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide?
The InChIKey is IMFNHQHLAMMDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-26-9-11-28(12-10-26)14-21-25-18-13-16(7-8-19(18)27(21)2)24-22(29)15-30-20-6-4-3-5-17(20)23/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,29).
What are the key properties of 2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide?
2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide has a molecular weight of 427.94 g/mol, XLogP of 2.99, 6 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-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide is sourced from PubChem (CID 23611162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).