4-chloro-N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]benzamide

C26H18ClN5O — CID 129316142

IUPAC4-chloro-N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H18ClN5O/c27-21-8-6-18(7-9-21)26(33)31-22-12-20(14-28-15-22)19-10-11-29-23(13-19)25-30-16-24(32-25)17-4-2-1-3-5-17/h1-16H,(H,30,32)(H,31,33)
InChIKeyWDCCAMJRFWDAJB-UHFFFAOYSA-N
MW451.92 g/mol
LogP6.11
Rot. Bonds5

About 4-chloro-N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]benzamide

4-chloro-N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]benzamide (PubChem CID 129316142) has the molecular formula C26H18ClN5O and a molecular weight of 451.92 g/mol. Its IUPAC name is 4-chloro-N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]benzamide
PubChem CID129316142
Molecular FormulaC26H18ClN5O
Molecular Weight451.92 g/mol
Exact Mass451.12
IUPAC Name4-chloro-N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H18ClN5O/c27-21-8-6-18(7-9-21)26(33)31-22-12-20(14-28-15-22)19-10-11-29-23(13-19)25-30-16-24(32-25)17-4-2-1-3-5-17/h1-16H,(H,30,32)(H,31,33)
InChIKeyWDCCAMJRFWDAJB-UHFFFAOYSA-N
XLogP6.11
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.92
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]benzamide (CID 129316142) is 4-chloro-N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]benzamide?
The InChIKey is WDCCAMJRFWDAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN5O/c27-21-8-6-18(7-9-21)26(33)31-22-12-20(14-28-15-22)19-10-11-29-23(13-19)25-30-16-24(32-25)17-4-2-1-3-5-17/h1-16H,(H,30,32)(H,31,33).
What are the key properties of 4-chloro-N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]benzamide?
4-chloro-N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]benzamide has a molecular weight of 451.92 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 129316142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).