N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide

C41H34N6O2 — CID 5386833

IUPACN-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide
SMILESCc1ccc2nc(/C(=C/c3ccc(/C=C(\NC(=O)c4ccccc4)c4nc5ccc(C)cc5[nH]4)c(C)c3)NC(=O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C41H34N6O2/c1-25-14-18-32-34(20-25)44-38(42-32)36(46-40(48)29-10-6-4-7-11-29)23-28-16-17-31(27(3)22-28)24-37(47-41(49)30-12-8-5-9-13-30)39-43-33-19-15-26(2)21-35(33)45-39/h4-24H,1-3H3,(H,42,44)(H,43,45)(H,46,48)(H,47,49)/b36-23-,37-24-
InChIKeyHVLDVXZJLFFUDN-IEXCSMOPSA-N
MW642.76 g/mol
LogP8.22
Rot. Bonds8

About N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide

N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide (PubChem CID 5386833) has the molecular formula C41H34N6O2 and a molecular weight of 642.76 g/mol. Its IUPAC name is N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide
PubChem CID5386833
Molecular FormulaC41H34N6O2
Molecular Weight642.76 g/mol
Exact Mass642.27
IUPAC NameN-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide
SMILESCc1ccc2nc(/C(=C/c3ccc(/C=C(\NC(=O)c4ccccc4)c4nc5ccc(C)cc5[nH]4)c(C)c3)NC(=O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C41H34N6O2/c1-25-14-18-32-34(20-25)44-38(42-32)36(46-40(48)29-10-6-4-7-11-29)23-28-16-17-31(27(3)22-28)24-37(47-41(49)30-12-8-5-9-13-30)39-43-33-19-15-26(2)21-35(33)45-39/h4-24H,1-3H3,(H,42,44)(H,43,45)(H,46,48)(H,47,49)/b36-23-,37-24-
InChIKeyHVLDVXZJLFFUDN-IEXCSMOPSA-N
XLogP8.22
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 58.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide?
The IUPAC name of N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide (CID 5386833) is N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide.
What is the SMILES notation for N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide?
The canonical SMILES for N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide is Cc1ccc2nc(/C(=C/c3ccc(/C=C(\NC(=O)c4ccccc4)c4nc5ccc(C)cc5[nH]4)c(C)c3)NC(=O)c3ccccc3)[nH]c2c1.
What is the InChIKey of N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide?
The InChIKey is HVLDVXZJLFFUDN-IEXCSMOPSA-N. The full InChI is InChI=1S/C41H34N6O2/c1-25-14-18-32-34(20-25)44-38(42-32)36(46-40(48)29-10-6-4-7-11-29)23-28-16-17-31(27(3)22-28)24-37(47-41(49)30-12-8-5-9-13-30)39-43-33-19-15-26(2)21-35(33)45-39/h4-24H,1-3H3,(H,42,44)(H,43,45)(H,46,48)(H,47,49)/b36-23-,37-24-.
What are the key properties of N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide?
N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide has a molecular weight of 642.76 g/mol, XLogP of 8.22, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide is sourced from PubChem (CID 5386833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).