4-(2,3-dimethoxyphenyl)-N,N,2-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide

C22H24N4O3 — CID 20969199

IUPAC4-(2,3-dimethoxyphenyl)-N,N,2-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1cccc(C2C(C(=O)N(C)C)=C(C)Nc3nc4ccccc4n32)c1OC
InChIInChI=1S/C22H24N4O3/c1-13-18(21(27)25(2)3)19(14-9-8-12-17(28-4)20(14)29-5)26-16-11-7-6-10-15(16)24-22(26)23-13/h6-12,19H,1-5H3,(H,23,24)
InChIKeyWSBFZCDKLJJRTA-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.43
Rot. Bonds4

About 4-(2,3-dimethoxyphenyl)-N,N,2-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide

4-(2,3-dimethoxyphenyl)-N,N,2-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide (PubChem CID 20969199) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-N,N,2-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-N,N,2-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
PubChem CID20969199
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-(2,3-dimethoxyphenyl)-N,N,2-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1cccc(C2C(C(=O)N(C)C)=C(C)Nc3nc4ccccc4n32)c1OC
InChIInChI=1S/C22H24N4O3/c1-13-18(21(27)25(2)3)19(14-9-8-12-17(28-4)20(14)29-5)26-16-11-7-6-10-15(16)24-22(26)23-13/h6-12,19H,1-5H3,(H,23,24)
InChIKeyWSBFZCDKLJJRTA-UHFFFAOYSA-N
XLogP3.43
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-N,N,2-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-N,N,2-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide (CID 20969199) is 4-(2,3-dimethoxyphenyl)-N,N,2-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-N,N,2-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-N,N,2-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide is COc1cccc(C2C(C(=O)N(C)C)=C(C)Nc3nc4ccccc4n32)c1OC.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-N,N,2-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is WSBFZCDKLJJRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-18(21(27)25(2)3)19(14-9-8-12-17(28-4)20(14)29-5)26-16-11-7-6-10-15(16)24-22(26)23-13/h6-12,19H,1-5H3,(H,23,24).
What are the key properties of 4-(2,3-dimethoxyphenyl)-N,N,2-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
4-(2,3-dimethoxyphenyl)-N,N,2-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-N,N,2-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 20969199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).