5-(1H-benzimidazol-2-ylmethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide

C23H22N8O3 — CID 25138165

IUPAC5-(1H-benzimidazol-2-ylmethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3nc4ccccc4[nH]3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C23H22N8O3/c1-33-14-9-13(10-15(11-14)34-2)27-21-19(20(24)32)22-25-7-8-31(22)23(30-21)26-12-18-28-16-5-3-4-6-17(16)29-18/h3-11,27H,12H2,1-2H3,(H2,24,32)(H,26,30)(H,28,29)
InChIKeyYAHDMQIBYYGVOS-UHFFFAOYSA-N
MW458.48 g/mol
LogP3.08
Rot. Bonds8

About 5-(1H-benzimidazol-2-ylmethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide

5-(1H-benzimidazol-2-ylmethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 25138165) has the molecular formula C23H22N8O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-ylmethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-ylmethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID25138165
Molecular FormulaC23H22N8O3
Molecular Weight458.48 g/mol
Exact Mass458.18
IUPAC Name5-(1H-benzimidazol-2-ylmethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3nc4ccccc4[nH]3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C23H22N8O3/c1-33-14-9-13(10-15(11-14)34-2)27-21-19(20(24)32)22-25-7-8-31(22)23(30-21)26-12-18-28-16-5-3-4-6-17(16)29-18/h3-11,27H,12H2,1-2H3,(H2,24,32)(H,26,30)(H,28,29)
InChIKeyYAHDMQIBYYGVOS-UHFFFAOYSA-N
XLogP3.08
TPSA144.48 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-ylmethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 5-(1H-benzimidazol-2-ylmethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (CID 25138165) is 5-(1H-benzimidazol-2-ylmethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 5-(1H-benzimidazol-2-ylmethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 5-(1H-benzimidazol-2-ylmethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(NCc3nc4ccccc4[nH]3)n3ccnc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 5-(1H-benzimidazol-2-ylmethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is YAHDMQIBYYGVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O3/c1-33-14-9-13(10-15(11-14)34-2)27-21-19(20(24)32)22-25-7-8-31(22)23(30-21)26-12-18-28-16-5-3-4-6-17(16)29-18/h3-11,27H,12H2,1-2H3,(H2,24,32)(H,26,30)(H,28,29).
What are the key properties of 5-(1H-benzimidazol-2-ylmethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
5-(1H-benzimidazol-2-ylmethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 3.08, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-ylmethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 25138165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).