N-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide

C19H13N7O — CID 126617847

IUPACN-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)c1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C19H13N7O/c27-18(22-13-5-6-17(21-11-13)25-10-8-20-12-25)15-7-9-26-16-4-2-1-3-14(16)23-19(26)24-15/h1-12H,(H,22,27)
InChIKeyGEWCVNZETPUMPA-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.72
Rot. Bonds3

About N-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide

N-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 126617847) has the molecular formula C19H13N7O and a molecular weight of 355.36 g/mol. Its IUPAC name is N-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID126617847
Molecular FormulaC19H13N7O
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC NameN-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)c1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C19H13N7O/c27-18(22-13-5-6-17(21-11-13)25-10-8-20-12-25)15-7-9-26-16-4-2-1-3-14(16)23-19(26)24-15/h1-12H,(H,22,27)
InChIKeyGEWCVNZETPUMPA-UHFFFAOYSA-N
XLogP2.72
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide (CID 126617847) is N-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide is O=C(Nc1ccc(-n2ccnc2)nc1)c1ccn2c(n1)nc1ccccc12.
What is the InChIKey of N-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is GEWCVNZETPUMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N7O/c27-18(22-13-5-6-17(21-11-13)25-10-8-20-12-25)15-7-9-26-16-4-2-1-3-14(16)23-19(26)24-15/h1-12H,(H,22,27).
What are the key properties of N-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
N-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 126617847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).