2,3-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxamide

C18H19N5O2 — CID 139412500

IUPAC2,3-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxamide
SMILESCc1nc(-c2ccc3c(c2)CCC3NC(=O)c2cnc(C)n2C)no1
InChIInChI=1S/C18H19N5O2/c1-10-19-9-16(23(10)3)18(24)21-15-7-5-12-8-13(4-6-14(12)15)17-20-11(2)25-22-17/h4,6,8-9,15H,5,7H2,1-3H3,(H,21,24)
InChIKeyVQJFDFUEHKXYHU-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.50
Rot. Bonds3

About 2,3-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxamide

2,3-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxamide (PubChem CID 139412500) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2,3-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxamide
PubChem CID139412500
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2,3-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxamide
SMILESCc1nc(-c2ccc3c(c2)CCC3NC(=O)c2cnc(C)n2C)no1
InChIInChI=1S/C18H19N5O2/c1-10-19-9-16(23(10)3)18(24)21-15-7-5-12-8-13(4-6-14(12)15)17-20-11(2)25-22-17/h4,6,8-9,15H,5,7H2,1-3H3,(H,21,24)
InChIKeyVQJFDFUEHKXYHU-UHFFFAOYSA-N
XLogP2.50
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxamide (CID 139412500) is 2,3-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxamide is Cc1nc(-c2ccc3c(c2)CCC3NC(=O)c2cnc(C)n2C)no1.
What is the InChIKey of 2,3-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxamide?
The InChIKey is VQJFDFUEHKXYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-10-19-9-16(23(10)3)18(24)21-15-7-5-12-8-13(4-6-14(12)15)17-20-11(2)25-22-17/h4,6,8-9,15H,5,7H2,1-3H3,(H,21,24).
What are the key properties of 2,3-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxamide?
2,3-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxamide is sourced from PubChem (CID 139412500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).