N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide

C18H18N4OS — CID 39147975

IUPACN-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
SMILESCc1cc2ncn(CC(=O)Nc3cccc(C(N)=S)c3)c2cc1C
InChIInChI=1S/C18H18N4OS/c1-11-6-15-16(7-12(11)2)22(10-20-15)9-17(23)21-14-5-3-4-13(8-14)18(19)24/h3-8,10H,9H2,1-2H3,(H2,19,24)(H,21,23)
InChIKeyKEUZMGARUZRHBU-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.93
Rot. Bonds4

About N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide

N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide (PubChem CID 39147975) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
PubChem CID39147975
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
SMILESCc1cc2ncn(CC(=O)Nc3cccc(C(N)=S)c3)c2cc1C
InChIInChI=1S/C18H18N4OS/c1-11-6-15-16(7-12(11)2)22(10-20-15)9-17(23)21-14-5-3-4-13(8-14)18(19)24/h3-8,10H,9H2,1-2H3,(H2,19,24)(H,21,23)
InChIKeyKEUZMGARUZRHBU-UHFFFAOYSA-N
XLogP2.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 39147973
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 17028500
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 729287
ethyl 4-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 1147047
N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62962868
2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17028490
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 26058601
N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 17028491
N-(3-carbamothioylphenyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 28945240
N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide
CID 24691128
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 32514079

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide (CID 39147975) is N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide is Cc1cc2ncn(CC(=O)Nc3cccc(C(N)=S)c3)c2cc1C.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide?
The InChIKey is KEUZMGARUZRHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-11-6-15-16(7-12(11)2)22(10-20-15)9-17(23)21-14-5-3-4-13(8-14)18(19)24/h3-8,10H,9H2,1-2H3,(H2,19,24)(H,21,23).
What are the key properties of N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide?
N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide has a molecular weight of 338.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 39147975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).