4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole

C17H13N5 — CID 56953509

IUPAC4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole
SMILESCc1ccncc1-c1cccc2c1ncn2-c1ccncn1
InChIInChI=1S/C17H13N5/c1-12-5-7-18-9-14(12)13-3-2-4-15-17(13)21-11-22(15)16-6-8-19-10-20-16/h2-11H,1H3
InChIKeyQTMZENQIGWHGFS-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.19
Rot. Bonds2

About 4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole

4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole (PubChem CID 56953509) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole.

Molecular Properties

Compound Name4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole
PubChem CID56953509
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole
SMILESCc1ccncc1-c1cccc2c1ncn2-c1ccncn1
InChIInChI=1S/C17H13N5/c1-12-5-7-18-9-14(12)13-3-2-4-15-17(13)21-11-22(15)16-6-8-19-10-20-16/h2-11H,1H3
InChIKeyQTMZENQIGWHGFS-UHFFFAOYSA-N
XLogP3.19
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole?
The IUPAC name of 4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole (CID 56953509) is 4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole.
What is the SMILES notation for 4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole?
The canonical SMILES for 4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole is Cc1ccncc1-c1cccc2c1ncn2-c1ccncn1.
What is the InChIKey of 4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole?
The InChIKey is QTMZENQIGWHGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c1-12-5-7-18-9-14(12)13-3-2-4-15-17(13)21-11-22(15)16-6-8-19-10-20-16/h2-11H,1H3.
What are the key properties of 4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole?
4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole has a molecular weight of 287.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-pyridinyl)-1-pyrimidin-4-ylbenzimidazole is sourced from PubChem (CID 56953509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).