2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide

C23H28ClN5O — CID 17236094

IUPAC2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide
SMILESCC(C)n1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C23H28ClN5O/c1-16(2)29-21-9-8-17(25-23(30)18-6-4-5-7-19(18)24)14-20(21)26-22(29)15-28-12-10-27(3)11-13-28/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,30)
InChIKeyMTCSQLLVCWWYGA-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.27
Rot. Bonds5

About 2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide

2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide (PubChem CID 17236094) has the molecular formula C23H28ClN5O and a molecular weight of 425.96 g/mol. Its IUPAC name is 2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide
PubChem CID17236094
Molecular FormulaC23H28ClN5O
Molecular Weight425.96 g/mol
Exact Mass425.20
IUPAC Name2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide
SMILESCC(C)n1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C23H28ClN5O/c1-16(2)29-21-9-8-17(25-23(30)18-6-4-5-7-19(18)24)14-20(21)26-22(29)15-28-12-10-27(3)11-13-28/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,30)
InChIKeyMTCSQLLVCWWYGA-UHFFFAOYSA-N
XLogP4.27
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]benzamide
CID 50745138
4-fluoro-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]benzamide
CID 53207572
3-methyl-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 50745125
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 53207693
2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 23611162
N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide
CID 53003175
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]-4-nitrobenzamide
CID 29093176
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide
CID 4886625
2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide
CID 53207578
2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 17236140
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide (CID 17236094) is 2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide is CC(C)n1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of 2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide?
The InChIKey is MTCSQLLVCWWYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O/c1-16(2)29-21-9-8-17(25-23(30)18-6-4-5-7-19(18)24)14-20(21)26-22(29)15-28-12-10-27(3)11-13-28/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,30).
What are the key properties of 2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide?
2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide has a molecular weight of 425.96 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide is sourced from PubChem (CID 17236094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).