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

C12H11N5O — CID 135423682

IUPAC2-(1H-benzimidazol-2-ylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C12H11N5O/c1-7-6-10(18)16-11(13-7)17-12-14-8-4-2-3-5-9(8)15-12/h2-6H,1H3,(H3,13,14,15,16,17,18)
InChIKeyIPWAAMAWIAQLHF-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.70
Rot. Bonds2

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

2-(1H-benzimidazol-2-ylamino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135423682) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylamino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylamino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135423682
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-(1H-benzimidazol-2-ylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C12H11N5O/c1-7-6-10(18)16-11(13-7)17-12-14-8-4-2-3-5-9(8)15-12/h2-6H,1H3,(H3,13,14,15,16,17,18)
InChIKeyIPWAAMAWIAQLHF-UHFFFAOYSA-N
XLogP1.70
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylamino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1H-benzimidazol-2-ylamino)-4-methyl-1H-pyrimidin-6-one (CID 135423682) is 2-(1H-benzimidazol-2-ylamino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylamino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1H-benzimidazol-2-ylamino)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Nc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylamino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is IPWAAMAWIAQLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-7-6-10(18)16-11(13-7)17-12-14-8-4-2-3-5-9(8)15-12/h2-6H,1H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-(1H-benzimidazol-2-ylamino)-4-methyl-1H-pyrimidin-6-one?
2-(1H-benzimidazol-2-ylamino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 241.25 g/mol, XLogP of 1.70, 2 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135423682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).