3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide

C22H22N4O2 — CID 90667417

IUPAC3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCc1noc(C)c1-c1ccc2ncn(Cc3cccc(C(=O)N(C)C)c3)c2c1
InChIInChI=1S/C22H22N4O2/c1-14-21(15(2)28-24-14)17-8-9-19-20(11-17)26(13-23-19)12-16-6-5-7-18(10-16)22(27)25(3)4/h5-11,13H,12H2,1-4H3
InChIKeyIPJSJZLOMNILQB-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.06
Rot. Bonds4

About 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide

3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 90667417) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide
PubChem CID90667417
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCc1noc(C)c1-c1ccc2ncn(Cc3cccc(C(=O)N(C)C)c3)c2c1
InChIInChI=1S/C22H22N4O2/c1-14-21(15(2)28-24-14)17-8-9-19-20(11-17)26(13-23-19)12-16-6-5-7-18(10-16)22(27)25(3)4/h5-11,13H,12H2,1-4H3
InChIKeyIPJSJZLOMNILQB-UHFFFAOYSA-N
XLogP4.06
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide (CID 90667417) is 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide is Cc1noc(C)c1-c1ccc2ncn(Cc3cccc(C(=O)N(C)C)c3)c2c1.
What is the InChIKey of 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide?
The InChIKey is IPJSJZLOMNILQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-21(15(2)28-24-14)17-8-9-19-20(11-17)26(13-23-19)12-16-6-5-7-18(10-16)22(27)25(3)4/h5-11,13H,12H2,1-4H3.
What are the key properties of 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide?
3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 90667417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).