3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide

C24H25N5O3 — CID 121292986

IUPAC3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1cc(-c2c(C)noc2C)cc2[nH]c(N3CCOCC3)nc12
InChIInChI=1S/C24H25N5O3/c1-13-4-5-16(23(25)30)10-18(13)19-11-17(21-14(2)28-32-15(21)3)12-20-22(19)27-24(26-20)29-6-8-31-9-7-29/h4-5,10-12H,6-9H2,1-3H3,(H2,25,30)(H,26,27)
InChIKeyULGWVQBLLILXBO-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.75
Rot. Bonds4

About 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide

3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide (PubChem CID 121292986) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide
PubChem CID121292986
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1cc(-c2c(C)noc2C)cc2[nH]c(N3CCOCC3)nc12
InChIInChI=1S/C24H25N5O3/c1-13-4-5-16(23(25)30)10-18(13)19-11-17(21-14(2)28-32-15(21)3)12-20-22(19)27-24(26-20)29-6-8-31-9-7-29/h4-5,10-12H,6-9H2,1-3H3,(H2,25,30)(H,26,27)
InChIKeyULGWVQBLLILXBO-UHFFFAOYSA-N
XLogP3.75
TPSA110.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide?
The IUPAC name of 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide (CID 121292986) is 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide?
The canonical SMILES for 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide is Cc1ccc(C(N)=O)cc1-c1cc(-c2c(C)noc2C)cc2[nH]c(N3CCOCC3)nc12.
What is the InChIKey of 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide?
The InChIKey is ULGWVQBLLILXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-13-4-5-16(23(25)30)10-18(13)19-11-17(21-14(2)28-32-15(21)3)12-20-22(19)27-24(26-20)29-6-8-31-9-7-29/h4-5,10-12H,6-9H2,1-3H3,(H2,25,30)(H,26,27).
What are the key properties of 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide?
3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide has a molecular weight of 431.50 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 121292986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).