N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide

C20H15N5O3 — CID 3661535

IUPACN-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3nc4ccccc4n3cc2C#N)cc1OC
InChIInChI=1S/C20H15N5O3/c1-27-16-8-7-12(9-17(16)28-2)19(26)23-18-13(10-21)11-25-15-6-4-3-5-14(15)22-20(25)24-18/h3-9,11H,1-2H3,(H,22,23,24,26)
InChIKeyQQRHDVBTZSKFIJ-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.02
Rot. Bonds4

About N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide

N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide (PubChem CID 3661535) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide
PubChem CID3661535
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC NameN-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3nc4ccccc4n3cc2C#N)cc1OC
InChIInChI=1S/C20H15N5O3/c1-27-16-8-7-12(9-17(16)28-2)19(26)23-18-13(10-21)11-25-15-6-4-3-5-14(15)22-20(25)24-18/h3-9,11H,1-2H3,(H,22,23,24,26)
InChIKeyQQRHDVBTZSKFIJ-UHFFFAOYSA-N
XLogP3.02
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-butoxy-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3-methoxybenzamide
CID 5143530
5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide
CID 14089473
5-bromo-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide
CID 4173748
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008513
2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile
CID 14089450
3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
CID 17008517
3-cyano-4-methoxy-N-phenylbenzamide
CID 18626252
N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide
CID 7164206
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
3,4-dimethoxy-N-[5-(1-phenacylbenzimidazol-2-yl)pentyl]benzamide
CID 16991042
propan-2-yl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008515

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide (CID 3661535) is N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2nc3nc4ccccc4n3cc2C#N)cc1OC.
What is the InChIKey of N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide?
The InChIKey is QQRHDVBTZSKFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-27-16-8-7-12(9-17(16)28-2)19(26)23-18-13(10-21)11-25-15-6-4-3-5-14(15)22-20(25)24-18/h3-9,11H,1-2H3,(H,22,23,24,26).
What are the key properties of N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide?
N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide has a molecular weight of 373.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 3661535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).