6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide

C45H40N8O2 — CID 102351264

IUPAC6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide
SMILESCCn1c(-c2cccc(C(=O)Nc3ccc(Cc4ccc(NC(=O)c5cccc(-c6nc7cc(C)ccc7n6CC)n5)cc4)cc3)n2)nc2cc(C)ccc21
InChIInChI=1S/C45H40N8O2/c1-5-52-40-23-13-28(3)25-38(40)50-42(52)34-9-7-11-36(48-34)44(54)46-32-19-15-30(16-20-32)27-31-17-21-33(22-18-31)47-45(55)37-12-8-10-35(49-37)43-51-39-26-29(4)14-24-41(39)53(43)6-2/h7-26H,5-6,27H2,1-4H3,(H,46,54)(H,47,55)
InChIKeyJKENTZLOGLYTNN-UHFFFAOYSA-N
MW724.87 g/mol
LogP9.26
Rot. Bonds10

About 6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide

6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide (PubChem CID 102351264) has the molecular formula C45H40N8O2 and a molecular weight of 724.87 g/mol. Its IUPAC name is 6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide
PubChem CID102351264
Molecular FormulaC45H40N8O2
Molecular Weight724.87 g/mol
Exact Mass724.33
IUPAC Name6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide
SMILESCCn1c(-c2cccc(C(=O)Nc3ccc(Cc4ccc(NC(=O)c5cccc(-c6nc7cc(C)ccc7n6CC)n5)cc4)cc3)n2)nc2cc(C)ccc21
InChIInChI=1S/C45H40N8O2/c1-5-52-40-23-13-28(3)25-38(40)50-42(52)34-9-7-11-36(48-34)44(54)46-32-19-15-30(16-20-32)27-31-17-21-33(22-18-31)47-45(55)37-12-8-10-35(49-37)43-51-39-26-29(4)14-24-41(39)53(43)6-2/h7-26H,5-6,27H2,1-4H3,(H,46,54)(H,47,55)
InChIKeyJKENTZLOGLYTNN-UHFFFAOYSA-N
XLogP9.26
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.87
LogP ≤ 59.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

6-N-(4-ethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100178
6-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097523
2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole
CID 60785471
3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol
CID 82829202
2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol
CID 136678120
N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109304225
6-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100172
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
CID 46249419
2-bromo-1-ethyl-5-methylbenzimidazole
CID 84799459
N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 39279397
2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide
CID 122371996
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide (CID 102351264) is 6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide is CCn1c(-c2cccc(C(=O)Nc3ccc(Cc4ccc(NC(=O)c5cccc(-c6nc7cc(C)ccc7n6CC)n5)cc4)cc3)n2)nc2cc(C)ccc21.
What is the InChIKey of 6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide?
The InChIKey is JKENTZLOGLYTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H40N8O2/c1-5-52-40-23-13-28(3)25-38(40)50-42(52)34-9-7-11-36(48-34)44(54)46-32-19-15-30(16-20-32)27-31-17-21-33(22-18-31)47-45(55)37-12-8-10-35(49-37)43-51-39-26-29(4)14-24-41(39)53(43)6-2/h7-26H,5-6,27H2,1-4H3,(H,46,54)(H,47,55).
What are the key properties of 6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide?
6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide has a molecular weight of 724.87 g/mol, XLogP of 9.26, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethyl-5-methylbenzimidazol-2-yl)-N-[4-[[4-[[6-(1-ethyl-5-methylbenzimidazol-2-yl)pyridine-2-carbonyl]amino]phenyl]methyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 102351264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).