N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

C26H27N5O — CID 117093184

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccc(-c3cccc(C(=O)NCc4nc5ccccc5[nH]4)c3)cc2)CC1
InChIInChI=1S/C26H27N5O/c1-30-13-15-31(16-14-30)22-11-9-19(10-12-22)20-5-4-6-21(17-20)26(32)27-18-25-28-23-7-2-3-8-24(23)29-25/h2-12,17H,13-16,18H2,1H3,(H,27,32)(H,28,29)
InChIKeyQQZINOFOZSGIKK-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.91
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 117093184) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID117093184
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccc(-c3cccc(C(=O)NCc4nc5ccccc5[nH]4)c3)cc2)CC1
InChIInChI=1S/C26H27N5O/c1-30-13-15-31(16-14-30)22-11-9-19(10-12-22)20-5-4-6-21(17-20)26(32)27-18-25-28-23-7-2-3-8-24(23)29-25/h2-12,17H,13-16,18H2,1H3,(H,27,32)(H,28,29)
InChIKeyQQZINOFOZSGIKK-UHFFFAOYSA-N
XLogP3.91
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 117093184) is N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is CN1CCN(c2ccc(-c3cccc(C(=O)NCc4nc5ccccc5[nH]4)c3)cc2)CC1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is QQZINOFOZSGIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-30-13-15-31(16-14-30)22-11-9-19(10-12-22)20-5-4-6-21(17-20)26(32)27-18-25-28-23-7-2-3-8-24(23)29-25/h2-12,17H,13-16,18H2,1H3,(H,27,32)(H,28,29).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 425.54 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 117093184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).