N-cyclopropyl-8-methoxypyrimido[1,2-a]benzimidazole-2-carboxamide

C15H14N4O2 — CID 164616158

IUPACN-cyclopropyl-8-methoxypyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1ccc2c(c1)nc1nc(C(=O)NC3CC3)ccn12
InChIInChI=1S/C15H14N4O2/c1-21-10-4-5-13-12(8-10)18-15-17-11(6-7-19(13)15)14(20)16-9-2-3-9/h4-9H,2-3H2,1H3,(H,16,20)
InChIKeyNXMMOBLBTMGDBN-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.78
Rot. Bonds3

About N-cyclopropyl-8-methoxypyrimido[1,2-a]benzimidazole-2-carboxamide

N-cyclopropyl-8-methoxypyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 164616158) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-cyclopropyl-8-methoxypyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-8-methoxypyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID164616158
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-cyclopropyl-8-methoxypyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1ccc2c(c1)nc1nc(C(=O)NC3CC3)ccn12
InChIInChI=1S/C15H14N4O2/c1-21-10-4-5-13-12(8-10)18-15-17-11(6-7-19(13)15)14(20)16-9-2-3-9/h4-9H,2-3H2,1H3,(H,16,20)
InChIKeyNXMMOBLBTMGDBN-UHFFFAOYSA-N
XLogP1.78
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-methoxypyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-cyclopropyl-8-methoxypyrimido[1,2-a]benzimidazole-2-carboxamide (CID 164616158) is N-cyclopropyl-8-methoxypyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-8-methoxypyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-8-methoxypyrimido[1,2-a]benzimidazole-2-carboxamide is COc1ccc2c(c1)nc1nc(C(=O)NC3CC3)ccn12.
What is the InChIKey of N-cyclopropyl-8-methoxypyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is NXMMOBLBTMGDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-10-4-5-13-12(8-10)18-15-17-11(6-7-19(13)15)14(20)16-9-2-3-9/h4-9H,2-3H2,1H3,(H,16,20).
What are the key properties of N-cyclopropyl-8-methoxypyrimido[1,2-a]benzimidazole-2-carboxamide?
N-cyclopropyl-8-methoxypyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-methoxypyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 164616158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).