2-bromo-N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)benzamide

C22H25BrN4O2 — CID 24789793

IUPAC2-bromo-N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)benzamide
SMILESCCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3ccccc3Br)cc21
InChIInChI=1S/C22H25BrN4O2/c1-3-26-19-13-17(24-21(28)15-9-5-6-10-16(15)23)18(25-11-7-8-12-25)14-20(19)27(4-2)22(26)29/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,24,28)
InChIKeyGCMWFTPVMOIVBU-UHFFFAOYSA-N
MW457.37 g/mol
LogP4.46
Rot. Bonds5

About 2-bromo-N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)benzamide

2-bromo-N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)benzamide (PubChem CID 24789793) has the molecular formula C22H25BrN4O2 and a molecular weight of 457.37 g/mol. Its IUPAC name is 2-bromo-N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)benzamide
PubChem CID24789793
Molecular FormulaC22H25BrN4O2
Molecular Weight457.37 g/mol
Exact Mass456.12
IUPAC Name2-bromo-N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)benzamide
SMILESCCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3ccccc3Br)cc21
InChIInChI=1S/C22H25BrN4O2/c1-3-26-19-13-17(24-21(28)15-9-5-6-10-16(15)23)18(25-11-7-8-12-25)14-20(19)27(4-2)22(26)29/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,24,28)
InChIKeyGCMWFTPVMOIVBU-UHFFFAOYSA-N
XLogP4.46
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)benzamide?
The IUPAC name of 2-bromo-N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)benzamide (CID 24789793) is 2-bromo-N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)benzamide?
The canonical SMILES for 2-bromo-N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)benzamide is CCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3ccccc3Br)cc21.
What is the InChIKey of 2-bromo-N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)benzamide?
The InChIKey is GCMWFTPVMOIVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN4O2/c1-3-26-19-13-17(24-21(28)15-9-5-6-10-16(15)23)18(25-11-7-8-12-25)14-20(19)27(4-2)22(26)29/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,24,28).
What are the key properties of 2-bromo-N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)benzamide?
2-bromo-N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)benzamide has a molecular weight of 457.37 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)benzamide is sourced from PubChem (CID 24789793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).