N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide

C16H11N5O — CID 126617764

IUPACN-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1cccnc1)c1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C16H11N5O/c22-15(18-11-4-3-8-17-10-11)13-7-9-21-14-6-2-1-5-12(14)19-16(21)20-13/h1-10H,(H,18,22)
InChIKeyYFSLANGJNFSNLC-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.53
Rot. Bonds2

About N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide

N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 126617764) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID126617764
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC NameN-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1cccnc1)c1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C16H11N5O/c22-15(18-11-4-3-8-17-10-11)13-7-9-21-14-6-2-1-5-12(14)19-16(21)20-13/h1-10H,(H,18,22)
InChIKeyYFSLANGJNFSNLC-UHFFFAOYSA-N
XLogP2.53
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-imidazol-1-yl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617847
2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
CID 155927483
4-chloro-N-pyridin-3-ylquinoline-2-carboxamide
CID 63376160
6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 163252988
2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
CID 144765692
6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide
CID 166481334
5-(benzimidazol-1-yl)-N-pyridin-3-ylfuran-2-carboxamide
CID 50983303
1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea
CID 134056803
7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide
CID 110485373
2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 141426406
2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane
CID 142362008
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide (CID 126617764) is N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide is O=C(Nc1cccnc1)c1ccn2c(n1)nc1ccccc12.
What is the InChIKey of N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is YFSLANGJNFSNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O/c22-15(18-11-4-3-8-17-10-11)13-7-9-21-14-6-2-1-5-12(14)19-16(21)20-13/h1-10H,(H,18,22).
What are the key properties of N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide?
N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 126617764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).