5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide

C20H14Br2ClN5O — CID 25061452

IUPAC5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(-c2ccc(-c3nc4c(Br)cc(Br)cc4[nH]3)nc2)c(Cl)c1
InChIInChI=1S/C20H14Br2ClN5O/c1-2-24-20(29)11-5-14(23)17(26-9-11)10-3-4-15(25-8-10)19-27-16-7-12(21)6-13(22)18(16)28-19/h3-9H,2H2,1H3,(H,24,29)(H,27,28)
InChIKeyBIMVWYHJDSLFIW-UHFFFAOYSA-N
MW535.63 g/mol
LogP5.61
Rot. Bonds4

About 5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide

5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide (PubChem CID 25061452) has the molecular formula C20H14Br2ClN5O and a molecular weight of 535.63 g/mol. Its IUPAC name is 5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide
PubChem CID25061452
Molecular FormulaC20H14Br2ClN5O
Molecular Weight535.63 g/mol
Exact Mass532.93
IUPAC Name5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(-c2ccc(-c3nc4c(Br)cc(Br)cc4[nH]3)nc2)c(Cl)c1
InChIInChI=1S/C20H14Br2ClN5O/c1-2-24-20(29)11-5-14(23)17(26-9-11)10-3-4-15(25-8-10)19-27-16-7-12(21)6-13(22)18(16)28-19/h3-9H,2H2,1H3,(H,24,29)(H,27,28)
InChIKeyBIMVWYHJDSLFIW-UHFFFAOYSA-N
XLogP5.61
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.63
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide with MolForge

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Related Compounds

5-chloro-N-ethyl-6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide
CID 25061198
4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole
CID 143269331
4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
CID 100579654
methyl 2-(3-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate
CID 91686704
6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole
CID 91686337
5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide
CID 42845804
4-(3-chloro-2-pyridinyl)-N-ethylbenzamide
CID 59673494
[6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol
CID 25059130
5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55769960
5-bromo-3-chloro-N-ethylpyridine-2-carboxamide
CID 155923575
N-(5-bromo-2-fluorophenyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62168364
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide (CID 25061452) is 5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide is CCNC(=O)c1cnc(-c2ccc(-c3nc4c(Br)cc(Br)cc4[nH]3)nc2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide?
The InChIKey is BIMVWYHJDSLFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2ClN5O/c1-2-24-20(29)11-5-14(23)17(26-9-11)10-3-4-15(25-8-10)19-27-16-7-12(21)6-13(22)18(16)28-19/h3-9H,2H2,1H3,(H,24,29)(H,27,28).
What are the key properties of 5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide?
5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide has a molecular weight of 535.63 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 25061452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).