6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide

C36H38N8O2 — CID 102095138

IUPAC6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(-c2nc3cc(-c4ccc5c(c4)nc(-c4cccc(C(=O)N(CC)CC)n4)n5C)ccc3n2C)n1
InChIInChI=1S/C36H38N8O2/c1-7-43(8-2)35(45)27-15-11-13-25(37-27)33-39-29-21-23(17-19-31(29)41(33)5)24-18-20-32-30(22-24)40-34(42(32)6)26-14-12-16-28(38-26)36(46)44(9-3)10-4/h11-22H,7-10H2,1-6H3
InChIKeyFKHZTHRIBZJQRP-UHFFFAOYSA-N
MW614.75 g/mol
LogP6.22
Rot. Bonds9

About 6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide

6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide (PubChem CID 102095138) has the molecular formula C36H38N8O2 and a molecular weight of 614.75 g/mol. Its IUPAC name is 6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide
PubChem CID102095138
Molecular FormulaC36H38N8O2
Molecular Weight614.75 g/mol
Exact Mass614.31
IUPAC Name6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(-c2nc3cc(-c4ccc5c(c4)nc(-c4cccc(C(=O)N(CC)CC)n4)n5C)ccc3n2C)n1
InChIInChI=1S/C36H38N8O2/c1-7-43(8-2)35(45)27-15-11-13-25(37-27)33-39-29-21-23(17-19-31(29)41(33)5)24-18-20-32-30(22-24)40-34(42(32)6)26-14-12-16-28(38-26)36(46)44(9-3)10-4/h11-22H,7-10H2,1-6H3
InChIKeyFKHZTHRIBZJQRP-UHFFFAOYSA-N
XLogP6.22
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+)
CID 139119875
6-[5-[[2-[4-chloro-6-(1-ethylbenzimidazol-2-yl)-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide
CID 101455835
4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide
CID 50825285
1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole
CID 59010715
N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336165
N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336301
4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide
CID 101442234
1-methyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid
CID 63892433
4-methyl-6-(1-methylbenzimidazol-2-yl)pyridine-2-carboxylic acid
CID 134595074
5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 110336255
N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide
CID 4789393
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole-5-carbonitrile
CID 65035421

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide (CID 102095138) is 6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1cccc(-c2nc3cc(-c4ccc5c(c4)nc(-c4cccc(C(=O)N(CC)CC)n4)n5C)ccc3n2C)n1.
What is the InChIKey of 6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide?
The InChIKey is FKHZTHRIBZJQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N8O2/c1-7-43(8-2)35(45)27-15-11-13-25(37-27)33-39-29-21-23(17-19-31(29)41(33)5)24-18-20-32-30(22-24)40-34(42(32)6)26-14-12-16-28(38-26)36(46)44(9-3)10-4/h11-22H,7-10H2,1-6H3.
What are the key properties of 6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide?
6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide has a molecular weight of 614.75 g/mol, XLogP of 6.22, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 102095138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).