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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).