N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C18H22N4O2 — CID 50962084

IUPACN-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc2nc(CN(C)C(=O)c3cc(CC(C)C)on3)[nH]c2c1
InChIInChI=1S/C18H22N4O2/c1-11(2)7-13-9-16(21-24-13)18(23)22(4)10-17-19-14-6-5-12(3)8-15(14)20-17/h5-6,8-9,11H,7,10H2,1-4H3,(H,19,20)
InChIKeyQSLQAMDCDMXXEE-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.33
Rot. Bonds5

About N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 50962084) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID50962084
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc2nc(CN(C)C(=O)c3cc(CC(C)C)on3)[nH]c2c1
InChIInChI=1S/C18H22N4O2/c1-11(2)7-13-9-16(21-24-13)18(23)22(4)10-17-19-14-6-5-12(3)8-15(14)20-17/h5-6,8-9,11H,7,10H2,1-4H3,(H,19,20)
InChIKeyQSLQAMDCDMXXEE-UHFFFAOYSA-N
XLogP3.33
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 50962084) is N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is Cc1ccc2nc(CN(C)C(=O)c3cc(CC(C)C)on3)[nH]c2c1.
What is the InChIKey of N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QSLQAMDCDMXXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11(2)7-13-9-16(21-24-13)18(23)22(4)10-17-19-14-6-5-12(3)8-15(14)20-17/h5-6,8-9,11H,7,10H2,1-4H3,(H,19,20).
What are the key properties of N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 50962084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).