N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide

C15H19N3O — CID 55212567

IUPACN-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide
SMILESCc1c(C)c(C)c(C(=O)Nc2ncc[nH]2)c(C)c1C
InChIInChI=1S/C15H19N3O/c1-8-9(2)11(4)13(12(5)10(8)3)14(19)18-15-16-6-7-17-15/h6-7H,1-5H3,(H2,16,17,18,19)
InChIKeyWOETXZQUAIACQP-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.20
Rot. Bonds2

About N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide

N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide (PubChem CID 55212567) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide
PubChem CID55212567
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide
SMILESCc1c(C)c(C)c(C(=O)Nc2ncc[nH]2)c(C)c1C
InChIInChI=1S/C15H19N3O/c1-8-9(2)11(4)13(12(5)10(8)3)14(19)18-15-16-6-7-17-15/h6-7H,1-5H3,(H2,16,17,18,19)
InChIKeyWOETXZQUAIACQP-UHFFFAOYSA-N
XLogP3.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
N-(1H-imidazol-2-yl)-6-methylpyridine-3-carboxamide
CID 60968795
2-hydroxy-N-(1H-imidazol-2-yl)-3-methylbenzamide
CID 60968361
N-(1H-imidazol-2-yl)-2-(methylamino)benzamide
CID 63563761
4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide
CID 115694734
2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide
CID 63563942
3,5-dibromo-N-(1H-imidazol-2-yl)benzamide
CID 103910174
N-(1H-imidazol-2-yl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 113379092
1-amino-3-(1H-imidazol-2-yl)urea
CID 154210460
1-(1H-imidazol-2-yl)-3-propan-2-ylurea
CID 63564076
N-(1H-imidazol-2-yl)-1,3-oxazole-4-carboxamide
CID 130735034
3-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64525652

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide?
The IUPAC name of N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide (CID 55212567) is N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide is Cc1c(C)c(C)c(C(=O)Nc2ncc[nH]2)c(C)c1C.
What is the InChIKey of N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide?
The InChIKey is WOETXZQUAIACQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-8-9(2)11(4)13(12(5)10(8)3)14(19)18-15-16-6-7-17-15/h6-7H,1-5H3,(H2,16,17,18,19).
What are the key properties of N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide?
N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide has a molecular weight of 257.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide is sourced from PubChem (CID 55212567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).