5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide

C26H25Cl2N5O2 — CID 44525869

IUPAC5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCN1CCN(c2ccc(-c3nc4c(C(N)=O)c(OCc5cc(Cl)cc(Cl)c5)ccc4[nH]3)cc2)CC1
InChIInChI=1S/C26H25Cl2N5O2/c1-32-8-10-33(11-9-32)20-4-2-17(3-5-20)26-30-21-6-7-22(23(25(29)34)24(21)31-26)35-15-16-12-18(27)14-19(28)13-16/h2-7,12-14H,8-11,15H2,1H3,(H2,29,34)(H,30,31)
InChIKeyATABGJWFEBPWOR-UHFFFAOYSA-N
MW510.43 g/mol
LogP4.97
Rot. Bonds6

About 5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide

5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 44525869) has the molecular formula C26H25Cl2N5O2 and a molecular weight of 510.43 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID44525869
Molecular FormulaC26H25Cl2N5O2
Molecular Weight510.43 g/mol
Exact Mass509.14
IUPAC Name5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCN1CCN(c2ccc(-c3nc4c(C(N)=O)c(OCc5cc(Cl)cc(Cl)c5)ccc4[nH]3)cc2)CC1
InChIInChI=1S/C26H25Cl2N5O2/c1-32-8-10-33(11-9-32)20-4-2-17(3-5-20)26-30-21-6-7-22(23(25(29)34)24(21)31-26)35-15-16-12-18(27)14-19(28)13-16/h2-7,12-14H,8-11,15H2,1H3,(H2,29,34)(H,30,31)
InChIKeyATABGJWFEBPWOR-UHFFFAOYSA-N
XLogP4.97
TPSA87.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.43
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone
CID 20683971
1-[4-(3,4-dimethoxyphenyl)-2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone
CID 154688950
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide
CID 56980971
2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 10113332
2-[4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenyl]ethanamine
CID 165428200
2-(4-ethoxy-3-(131I)iodophenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
CID 10627102
4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol
CID 143188239
2-(3,4-dimethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride
CID 131704506
6-(4-methylpiperazin-1-yl)-2-[2-(4-prop-2-ynoxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 58160590
2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide
CID 68701768
3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide
CID 66604336
5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide
CID 155566808

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide (CID 44525869) is 5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide is CN1CCN(c2ccc(-c3nc4c(C(N)=O)c(OCc5cc(Cl)cc(Cl)c5)ccc4[nH]3)cc2)CC1.
What is the InChIKey of 5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is ATABGJWFEBPWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N5O2/c1-32-8-10-33(11-9-32)20-4-2-17(3-5-20)26-30-21-6-7-22(23(25(29)34)24(21)31-26)35-15-16-12-18(27)14-19(28)13-16/h2-7,12-14H,8-11,15H2,1H3,(H2,29,34)(H,30,31).
What are the key properties of 5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide?
5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 510.43 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorophenyl)methoxy]-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 44525869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).