N-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide

C23H19N5OS — CID 14211423

IUPACN-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide
SMILESCc1[nH]c(-c2ccccc2NC(=S)NC(=O)c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C23H19N5OS/c1-15-20(17-10-7-13-24-14-17)27-21(25-15)18-11-5-6-12-19(18)26-23(30)28-22(29)16-8-3-2-4-9-16/h2-14H,1H3,(H,25,27)(H2,26,28,29,30)
InChIKeyQWCFSNRJFKZIMX-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.57
Rot. Bonds4

About N-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide

N-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide (PubChem CID 14211423) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is N-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide
PubChem CID14211423
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC NameN-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide
SMILESCc1[nH]c(-c2ccccc2NC(=S)NC(=O)c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C23H19N5OS/c1-15-20(17-10-7-13-24-14-17)27-21(25-15)18-11-5-6-12-19(18)26-23(30)28-22(29)16-8-3-2-4-9-16/h2-14H,1H3,(H,25,27)(H2,26,28,29,30)
InChIKeyQWCFSNRJFKZIMX-UHFFFAOYSA-N
XLogP4.57
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide
CID 10314435
N-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide
CID 15175518
3-[5-methyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]pyridine
CID 174532119
N-[3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide
CID 10064728
(2-pyridin-3-ylphenyl)carbamic acid
CID 174385651
methyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate
CID 10362265
N-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide
CID 10402952
N-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide
CID 10360581
N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 23826035
N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 139076926
2-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid
CID 4505501
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine
CID 174519203

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide?
The IUPAC name of N-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide (CID 14211423) is N-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for N-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide?
The canonical SMILES for N-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide is Cc1[nH]c(-c2ccccc2NC(=S)NC(=O)c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of N-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide?
The InChIKey is QWCFSNRJFKZIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c1-15-20(17-10-7-13-24-14-17)27-21(25-15)18-11-5-6-12-19(18)26-23(30)28-22(29)16-8-3-2-4-9-16/h2-14H,1H3,(H,25,27)(H2,26,28,29,30).
What are the key properties of N-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide?
N-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide has a molecular weight of 413.51 g/mol, XLogP of 4.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 14211423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).