4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

C25H25N5O — CID 78804591

IUPAC4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(-n4cnc5ccccc54)cc3)cc2)CC1
InChIInChI=1S/C25H25N5O/c1-28-14-16-29(17-15-28)21-12-8-20(9-13-21)27-25(31)19-6-10-22(11-7-19)30-18-26-23-4-2-3-5-24(23)30/h2-13,18H,14-17H2,1H3,(H,27,31)
InChIKeyYVRQFFUNYWVOPS-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.03
Rot. Bonds4

About 4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 78804591) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID78804591
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(-n4cnc5ccccc54)cc3)cc2)CC1
InChIInChI=1S/C25H25N5O/c1-28-14-16-29(17-15-28)21-12-8-20(9-13-21)27-25(31)19-6-10-22(11-7-19)30-18-26-23-4-2-3-5-24(23)30/h2-13,18H,14-17H2,1H3,(H,27,31)
InChIKeyYVRQFFUNYWVOPS-UHFFFAOYSA-N
XLogP4.03
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide
CID 86822181
4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55948136
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951
N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 24600085
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 87037290
4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide
CID 77451963
N-[4-(benzimidazol-1-yl)phenyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 55471614
N-[4-(benzimidazol-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17487112

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 78804591) is 4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is CN1CCN(c2ccc(NC(=O)c3ccc(-n4cnc5ccccc54)cc3)cc2)CC1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is YVRQFFUNYWVOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-28-14-16-29(17-15-28)21-12-8-20(9-13-21)27-25(31)19-6-10-22(11-7-19)30-18-26-23-4-2-3-5-24(23)30/h2-13,18H,14-17H2,1H3,(H,27,31).
What are the key properties of 4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 411.51 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 78804591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).