N-(5-chloro-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]benzamide

C22H18ClN5O2 — CID 18728106

IUPACN-(5-chloro-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C2=NCCN2)cc1
InChIInChI=1S/C22H18ClN5O2/c23-16-9-10-19(26-13-16)28-22(30)17-3-1-2-4-18(17)27-21(29)15-7-5-14(6-8-15)20-24-11-12-25-20/h1-10,13H,11-12H2,(H,24,25)(H,27,29)(H,26,28,30)
InChIKeyWQLOWAOWARASDB-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.59
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]benzamide

N-(5-chloro-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]benzamide (PubChem CID 18728106) has the molecular formula C22H18ClN5O2 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]benzamide
PubChem CID18728106
Molecular FormulaC22H18ClN5O2
Molecular Weight419.87 g/mol
Exact Mass419.11
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C2=NCCN2)cc1
InChIInChI=1S/C22H18ClN5O2/c23-16-9-10-19(26-13-16)28-22(30)17-3-1-2-4-18(17)27-21(29)15-7-5-14(6-8-15)20-24-11-12-25-20/h1-10,13H,11-12H2,(H,24,25)(H,27,29)(H,26,28,30)
InChIKeyWQLOWAOWARASDB-UHFFFAOYSA-N
XLogP3.59
TPSA95.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]benzamide (CID 18728106) is N-(5-chloro-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]benzamide is O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C2=NCCN2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]benzamide?
The InChIKey is WQLOWAOWARASDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O2/c23-16-9-10-19(26-13-16)28-22(30)17-3-1-2-4-18(17)27-21(29)15-7-5-14(6-8-15)20-24-11-12-25-20/h1-10,13H,11-12H2,(H,24,25)(H,27,29)(H,26,28,30).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]benzamide?
N-(5-chloro-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]benzamide has a molecular weight of 419.87 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 18728106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).