2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide

C23H19BrN4OS — CID 55813556

IUPAC2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1Cn1ccnc1)c1ccccc1Sc1ccc(Br)cn1
InChIInChI=1S/C23H19BrN4OS/c24-19-9-10-22(26-14-19)30-21-8-4-3-7-20(21)23(29)27-13-17-5-1-2-6-18(17)15-28-12-11-25-16-28/h1-12,14,16H,13,15H2,(H,27,29)
InChIKeySODUMNVRAOFAEZ-UHFFFAOYSA-N
MW479.40 g/mol
LogP5.17
Rot. Bonds7

About 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide

2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 55813556) has the molecular formula C23H19BrN4OS and a molecular weight of 479.40 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID55813556
Molecular FormulaC23H19BrN4OS
Molecular Weight479.40 g/mol
Exact Mass478.05
IUPAC Name2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1Cn1ccnc1)c1ccccc1Sc1ccc(Br)cn1
InChIInChI=1S/C23H19BrN4OS/c24-19-9-10-22(26-14-19)30-21-8-4-3-7-20(21)23(29)27-13-17-5-1-2-6-18(17)15-28-12-11-25-16-28/h1-12,14,16H,13,15H2,(H,27,29)
InChIKeySODUMNVRAOFAEZ-UHFFFAOYSA-N
XLogP5.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.40
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55813462
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 55966066
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 55966169
N-[2-[[2-[(5-bromo-2-pyridinyl)sulfanyl]benzoyl]amino]ethyl]furan-2-carboxamide
CID 55967071
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 55475406
2,4-dichloro-5-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24676423
2-(4-bromophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 37423254
6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide
CID 55871851
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 55966697
N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55475580
(2S,3R)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 32951602
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide
CID 55507398

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide (CID 55813556) is 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1Cn1ccnc1)c1ccccc1Sc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is SODUMNVRAOFAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4OS/c24-19-9-10-22(26-14-19)30-21-8-4-3-7-20(21)23(29)27-13-17-5-1-2-6-18(17)15-28-12-11-25-16-28/h1-12,14,16H,13,15H2,(H,27,29).
What are the key properties of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 479.40 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55813556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).