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

C19H12ClN5O2 — CID 14089473

IUPAC5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N
InChIInChI=1S/C19H12ClN5O2/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)
InChIKeyXNRADDWTPBZYTJ-UHFFFAOYSA-N
MW377.79 g/mol
LogP3.67
Rot. Bonds3

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

5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide (PubChem CID 14089473) has the molecular formula C19H12ClN5O2 and a molecular weight of 377.79 g/mol. Its IUPAC name is 5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide
PubChem CID14089473
Molecular FormulaC19H12ClN5O2
Molecular Weight377.79 g/mol
Exact Mass377.07
IUPAC Name5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N
InChIInChI=1S/C19H12ClN5O2/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)
InChIKeyXNRADDWTPBZYTJ-UHFFFAOYSA-N
XLogP3.67
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide
CID 4173748
4-butoxy-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3-methoxybenzamide
CID 5143530
5-chloro-N-(1-ethylbenzimidazol-2-yl)-2-methoxybenzamide
CID 27898030
5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide
CID 108769371
N-(5-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzamide
CID 104880310
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307
5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide
CID 4811622
5-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811217
5-chloro-N-(4,6-dimethyl-2-pyridinyl)-2-methoxybenzamide
CID 868750
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile
CID 14089450
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63643423

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide (CID 14089473) is 5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N.
What is the InChIKey of 5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide?
The InChIKey is XNRADDWTPBZYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5O2/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-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide?
5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide has a molecular weight of 377.79 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 14089473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).