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

C43H42ClN9O — CID 101455835

IUPAC6-[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
SMILESCCN(CC)C(=O)c1cccc(-c2nc3cc(Cc4ccc5c(c4)nc(-c4cc(Cl)cc(-c6nc7ccccc7n6CC)n4)n5CC)ccc3n2CC)n1
InChIInChI=1S/C43H42ClN9O/c1-6-50(7-2)43(54)32-16-13-15-31(45-32)40-48-33-23-27(18-20-38(33)52(40)9-4)22-28-19-21-39-34(24-28)49-42(53(39)10-5)36-26-29(44)25-35(46-36)41-47-30-14-11-12-17-37(30)51(41)8-3/h11-21,23-26H,6-10,22H2,1-5H3
InChIKeyPQIXEOHRJSMBQM-UHFFFAOYSA-N
MW736.32 g/mol
LogP9.31
Rot. Bonds11

About 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

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 (PubChem CID 101455835) has the molecular formula C43H42ClN9O and a molecular weight of 736.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID101455835
Molecular FormulaC43H42ClN9O
Molecular Weight736.32 g/mol
Exact Mass735.32
IUPAC Name6-[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
SMILESCCN(CC)C(=O)c1cccc(-c2nc3cc(Cc4ccc5c(c4)nc(-c4cc(Cl)cc(-c6nc7ccccc7n6CC)n4)n5CC)ccc3n2CC)n1
InChIInChI=1S/C43H42ClN9O/c1-6-50(7-2)43(54)32-16-13-15-31(45-32)40-48-33-23-27(18-20-38(33)52(40)9-4)22-28-19-21-39-34(24-28)49-42(53(39)10-5)36-26-29(44)25-35(46-36)41-47-30-14-11-12-17-37(30)51(41)8-3/h11-21,23-26H,6-10,22H2,1-5H3
InChIKeyPQIXEOHRJSMBQM-UHFFFAOYSA-N
XLogP9.31
TPSA99.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.32
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole
CID 101336852
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
6-[5-[2-[6-(diethylcarbamoyl)-2-pyridinyl]-1-methylbenzimidazol-5-yl]-1-methylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide
CID 102095138
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
2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813261
N-(2,6-dimethylphenyl)-1-[6-(1-ethylbenzimidazol-2-yl)-2-pyridinyl]ethanimine
CID 102499013
cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride
CID 70012320
2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
CID 82142076
8-[2-[6-[1-(8-phosphonooctyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]octylphosphonic acid
CID 101068089
1-[2-[6-[1-[(dimethylamino)methyl]benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]-N,N-dimethylmethanamine;neodymium(3+);trichloride
CID 173243474
7-chloro-N,N-diethylquinoline-2-carboxamide
CID 110490272
cobalt(3+);1-[2-[6-[1-[(dimethylamino)methyl]benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]-N,N-dimethylmethanamine;trichloride
CID 70012998

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)C(=O)c1cccc(-c2nc3cc(Cc4ccc5c(c4)nc(-c4cc(Cl)cc(-c6nc7ccccc7n6CC)n4)n5CC)ccc3n2CC)n1.
What is the InChIKey of 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?
The InChIKey is PQIXEOHRJSMBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42ClN9O/c1-6-50(7-2)43(54)32-16-13-15-31(45-32)40-48-33-23-27(18-20-38(33)52(40)9-4)22-28-19-21-39-34(24-28)49-42(53(39)10-5)36-26-29(44)25-35(46-36)41-47-30-14-11-12-17-37(30)51(41)8-3/h11-21,23-26H,6-10,22H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 736.32 g/mol, XLogP of 9.31, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 101455835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).