5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide

C19H12BrN5O2 — CID 4173748

IUPAC5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N
InChIInChI=1S/C19H12BrN5O2/c1-27-16-7-6-12(20)8-13(16)18(26)23-17-11(9-21)10-25-15-5-3-2-4-14(15)22-19(25)24-17/h2-8,10H,1H3,(H,22,23,24,26)
InChIKeyLDXSXNQPNDTONM-UHFFFAOYSA-N
MW422.24 g/mol
LogP3.78
Rot. Bonds3

About 5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide

5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide (PubChem CID 4173748) has the molecular formula C19H12BrN5O2 and a molecular weight of 422.24 g/mol. Its IUPAC name is 5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide
PubChem CID4173748
Molecular FormulaC19H12BrN5O2
Molecular Weight422.24 g/mol
Exact Mass421.02
IUPAC Name5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N
InChIInChI=1S/C19H12BrN5O2/c1-27-16-7-6-12(20)8-13(16)18(26)23-17-11(9-21)10-25-15-5-3-2-4-14(15)22-19(25)24-17/h2-8,10H,1H3,(H,22,23,24,26)
InChIKeyLDXSXNQPNDTONM-UHFFFAOYSA-N
XLogP3.78
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide
CID 14089473
N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide
CID 3661535
4-butoxy-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3-methoxybenzamide
CID 5143530
N-(5-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzamide
CID 104880310
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile
CID 14089450
4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide
CID 104593077
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639
5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide
CID 43822440
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromo-2-methoxybenzamide
CID 4503334
2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid
CID 1231034
5-bromo-N-[(2-bromophenyl)carbamothioyl]-2-methoxybenzamide
CID 17094507

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide (CID 4173748) is 5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N.
What is the InChIKey of 5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide?
The InChIKey is LDXSXNQPNDTONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN5O2/c1-27-16-7-6-12(20)8-13(16)18(26)23-17-11(9-21)10-25-15-5-3-2-4-14(15)22-19(25)24-17/h2-8,10H,1H3,(H,22,23,24,26).
What are the key properties of 5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide?
5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide has a molecular weight of 422.24 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 4173748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).