2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one

C17H13N5O — CID 135433872

IUPAC2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(Nc2nc3ccccc3[nH]2)[nH]1
InChIInChI=1S/C17H13N5O/c23-15-10-14(11-6-2-1-3-7-11)20-17(21-15)22-16-18-12-8-4-5-9-13(12)19-16/h1-10H,(H3,18,19,20,21,22,23)
InChIKeyIVYRBZBKRLPVTO-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.06
Rot. Bonds3

About 2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one

2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135433872) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one
PubChem CID135433872
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(Nc2nc3ccccc3[nH]2)[nH]1
InChIInChI=1S/C17H13N5O/c23-15-10-14(11-6-2-1-3-7-11)20-17(21-15)22-16-18-12-8-4-5-9-13(12)19-16/h1-10H,(H3,18,19,20,21,22,23)
InChIKeyIVYRBZBKRLPVTO-UHFFFAOYSA-N
XLogP3.06
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135460740
2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one
CID 135421720
2-(3-bromoanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135773852
N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
CID 135590630
2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-1H-pyrimidin-6-one
CID 135423688
2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one
CID 136925145
N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 27649691
2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135398939
2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 136778551
2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645510
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136791126

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one (CID 135433872) is 2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one is O=c1cc(-c2ccccc2)nc(Nc2nc3ccccc3[nH]2)[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is IVYRBZBKRLPVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c23-15-10-14(11-6-2-1-3-7-11)20-17(21-15)22-16-18-12-8-4-5-9-13(12)19-16/h1-10H,(H3,18,19,20,21,22,23).
What are the key properties of 2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one?
2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 303.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135433872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).