4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide

C24H30N4O3 — CID 15990288

IUPAC4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide
SMILESCn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3ccc(C(C)(C)C)cc3)cc21
InChIInChI=1S/C24H30N4O3/c1-24(2,3)17-8-6-16(7-9-17)22(29)25-18-14-20-21(27(5)23(30)26(20)4)15-19(18)28-10-12-31-13-11-28/h6-9,14-15H,10-13H2,1-5H3,(H,25,29)
InChIKeyBJPNGZUNAQNPIJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.26
Rot. Bonds3

About 4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide

4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide (PubChem CID 15990288) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide
PubChem CID15990288
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide
SMILESCn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3ccc(C(C)(C)C)cc3)cc21
InChIInChI=1S/C24H30N4O3/c1-24(2,3)17-8-6-16(7-9-17)22(29)25-18-14-20-21(27(5)23(30)26(20)4)15-19(18)28-10-12-31-13-11-28/h6-9,14-15H,10-13H2,1-5H3,(H,25,29)
InChIKeyBJPNGZUNAQNPIJ-UHFFFAOYSA-N
XLogP3.26
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide (CID 15990288) is 4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide is Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3ccc(C(C)(C)C)cc3)cc21.
What is the InChIKey of 4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide?
The InChIKey is BJPNGZUNAQNPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-24(2,3)17-8-6-16(7-9-17)22(29)25-18-14-20-21(27(5)23(30)26(20)4)15-19(18)28-10-12-31-13-11-28/h6-9,14-15H,10-13H2,1-5H3,(H,25,29).
What are the key properties of 4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide?
4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide has a molecular weight of 422.53 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 15990288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).